KEGG   DRUG: Doxycycline
Entry
D00307                      Drug                                   

Name
Doxycycline (USP);
Doxycycline hydrate;
DOXY;
Monodox (TN);
Oracea (TN);
Vibramycin (TN)
Product
  Generic
DOXYCYCLINE (A-S Medication Solutions), DOXYCYCLINE (A-S Medication Solutions), DOXYCYCLINE (A-S Medication Solutions), DOXYCYCLINE (A-S Medication Solutions), DOXYCYCLINE (Alembic Pharmaceuticals), DOXYCYCLINE (Alembic Pharmaceuticals Limited), DOXYCYCLINE (American Health Packaging), DOXYCYCLINE (American Health Packaging), DOXYCYCLINE (Amneal Pharmaceuticals of New York LLC), DOXYCYCLINE MONOHYDRATE (Aphena Pharma Solutions - Tennessee), DOXYCYCLINE (AvKARE), DOXYCYCLINE (AvPAK), DOXYCYCLINE (Bryant Ranch Prepack), DOXYCYCLINE (Bryant Ranch Prepack), DOXYCYCLINE (Bryant Ranch Prepack), DOXYCYCLINE (Bryant Ranch Prepack), DOXYCYCLINE (CIPLA USA), DOXYCYCLINE (Cadila Healthcare Limited), DOXYCYCLINE (Cadila Healthcare Limited), DOXYCYCLINE (Cosette Pharmaceuticals), DOXYCYCLINE (DIRECT RX), DOXYCYCLINE (Denton Pharma), DOXYCYCLINE (Denton Pharma), DOXYCYCLINE (Direct Rx), OKEBO (Encore Dermatology), OKEBO (Encore Dermatology), DOXYCYCLINE (Golden State Medical Supply), DOXYCYCLINE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), DOXYCYCLINE (Lake Erie Medical DBA Quality Care Products LLC), DOXYCYCLINE (Lake Erie Medical DBA Quality Care Products LLC), DOXYCYCLINE (Lannett Company), DOXYCYCLINE (Lupin Pharmaceuticals), DOXYCYCLINE (Lupin Pharmaceuticals), DOXYCYCLINE (Lupin Pharmaceuticals), DOXYCYCLINE (Mayne Pharma), DOXYCYCLINE (Novel Laboratories), DOXYCYCLINE (PD-Rx Pharmaceuticals), DOXYCYCLINE (PD-Rx Pharmaceuticals), DOXYCYCLINE (PD-Rx Pharmaceuticals), DOXYCYCLINE (Par Pharmaceutical), DOXYCYCLINE (PharmPak), DOXYCYCLINE (Prasco Laboratories), DOXYCYCLINE (Proficient Rx LP), DOXYCYCLINE (Proficient Rx LP), DOXYCYCLINE (Proficient Rx LP), DOXYCYCLINE (Proficient Rx LP), DOXYCYCLINE (Proficient Rx LP), DOXYCYCLINE (Quality Care Products), DOXYCYCLINE (REMEDYREPACK), DOXYCYCLINE (REMEDYREPACK), DOXYCYCLINE (RedPharm Drug), DOXYCYCLINE (RedPharm Drug), DOXYCYCLINE (RedPharm Drug), DOXYCYCLINE (RedPharm Drug), DOXYCYCLINE (RedPharm Drug), DOXYCYCLINE (RedPharm Drug), DOXYCYCLINE (RedPharm Drug), DOXYCYCLINE (RedPharm Drug), MONDOXYNE NL (Sonoma Pharmaceuticals), MONDOXYNE NL (Sonoma Pharmaceuticals), DOXYCYCLINE (Sun Pharmaceutical Industries), DOXYCYCLINE (Sun Pharmaceutical Industries), DOXYCYCLINE (Zydus Pharmaceuticals (USA)), DOXYCYCLINE (Zydus Pharmaceuticals (USA))
Formula
C22H24N2O8. H2O
Exact mass
462.1638
Mol weight
462.4498
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: A01AB22 J01AA02
Chemical structure group: DG00008
Product (DG00008): D00307<US> D02129<JP/US>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
  Disease
Rocky Mountain spotted fever [DS:H00323]
Typhus fever [DS:H00322]
Q fever [DS:H00310]
Rickettsialpox [DS:H02379]
Lymphogranuloma venereum [DS:H00348]
Psittacosis [DS:H00350]
Trachoma [DS:H00349]
Relapsing fever [DS:H00427]
Chancroid [DS:H00305]
Plague [DS:H00297]
Tularemia [DS:H00312]
Cholera [DS:H00110]
Campylobacter fetus infections [DS:H00321]
Brucellosis [DS:H00325]
Bartonellosis [DS:H00326]
Granuloma inguinale [DS:H01415]
Anthrax [DS:H00328]
Gonorrhea [DS:H00315]
Syphilis [DS:H00354]
Yaws [DS:H01318]
Listeriosis [DS:H00332]
Vincent's infection [DS:H01440]
Actinomycosis [DS:H01325]
Amebiasis [DS:H00360]
Severe acne [DS:H01445]
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07019  Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D00307  Doxycycline (USP) <US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D00307  Doxycycline (USP) <US>
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Doxycycline
    D00307  Doxycycline (USP)
 Dental and Oral Agents
  Doxycycline
   D00307  Doxycycline (USP)
Other DBs
CAS: 17086-28-1
PubChem: 7847373
ChEBI: 60648
ChEMBL: CHEMBL1200699
DrugBank: DB00254
LigandBox: D00307
NIKKAJI: J243.853D
LinkDB
KCF data

ATOM        33
            1   C1y C    21.1216  -16.6614
            2   C1z C    21.1506  -18.0502
            3   C1y C    22.3391  -15.9818
            4   C1y C    19.9277  -15.9523
            5   C2y C    19.8983  -18.7358
            6   C5x C    22.2978  -18.7653
            7   C2y C    23.5269  -16.6969
            8   C1y C    18.7103  -16.6379
            9   C2y C    18.6985  -18.0324
            10  O1a O    19.8924  -20.1364
            11  C2y C    23.5151  -18.0857
            12  O5x O    22.3208  -20.1660
            13  O1a O    24.7564  -16.0173
            14  C1y C    17.5048  -15.9345
            15  C5x C    17.4929  -18.7298
            16  C5a C    24.7149  -18.8068
            17  C8y C    16.2990  -16.6261
            18  C8y C    16.2931  -18.0265
            19  O5x O    17.4929  -20.1245
            20  N1a N    25.9383  -18.1212
            21  O5a O    24.7439  -20.2073
            22  C8x C    15.0755  -15.9286
            23  C8y C    15.0815  -18.7240
            24  C8x C    13.8699  -16.6319
            25  C8x C    13.8699  -18.0324
            26  O1a O    15.0815  -20.1245
            27  C1a C    17.5101  -14.1705
            28  N1c N    22.3622  -13.7280
            29  C1a C    23.5981  -13.0412
            30  C1a C    21.1494  -13.0011
            31  O1a O    19.9173  -14.1846
            32  O1a O    21.0956  -19.4620
            33  O0  O    29.6802  -17.2901
BOND        35
            1     5   9 2
            2     5  10 1
            3     6  11 1
            4     6  12 2
            5     7  13 1
            6     8  14 1
            7     9  15 1
            8    11  16 1
            9    14  17 1
            10   15  18 1
            11   15  19 2
            12   16  20 1
            13   16  21 2
            14   17  22 1
            15   18  23 1
            16   22  24 2
            17   23  25 2
            18   23  26 1
            19    7  11 2
            20    8   9 1
            21   17  18 2
            22   24  25 1
            23   14  27 1 #Down
            24    3  28 1 #Down
            25    1   2 1
            26   28  29 1
            27    1   3 1
            28   28  30 1
            29    1   4 1
            30    2   5 1
            31    2   6 1
            32    4  31 1 #Down
            33    3   7 1
            34    2  32 1 #Down
            35    4   8 1

» Japanese version   » Back

KEGG   DRUG: Doxycycline hyclate
Entry
D02129                      Drug                                   

Name
Doxycycline hyclate (USP);
Doxycycline hydrochloride hydrate (JP17);
DOXY;
Doryx (TN);
Lymepak (TN);
Periostat (TN);
Vibra-tabs (TN)
Product
  Generic
DOXY 100(TM) DOXYCYCLINE (HF Acquisition Co LLC), DOXYCYCLINE HYCLATE (Lupin Pharmaceuticals), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (Amneal Pharmaceuticals NY LLC), DOXYCYCLINE HYCLATE (Amneal Pharmaceuticals NY LLC), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE (Cadila Healthcare Limited), DOXYCYCLINE (Chartwell RX LLC), DOXYCYCLINE HYCLATE (Denton Pharma), DOXYCYCLINE (DirectRX), DOXYCYCLINE (Direct_Rx), DOXY 100 (Fresenius Kabi USA), DOXY 100 (Fresenius Kabi USA), DOXY 100 (Fresenius Kabi USA), DOXY 100 (General Injectables & Vaccines), DOXYCYCLINE (General Injectables & Vaccines), DOXYCYCLINE (Mylan Institutional LLC), DOXYCYCLINE HYCLATE (Mylan Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (Proficient Rx LP), DOXYCYCLINE HYCLATE (REMEDYREPACK), DOXYCYCLINE HYCLATE (Unit Dose Services), DOXYCYCLINE (Zydus Pharmaceuticals (USA)), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (A-S Medication Solutions), DOXYCYCLINE HYCLATE (Actavis Pharma), DOXYCYCLINE HYCLATE (Actavis Pharma), DOXYCYCLINE HYCLATE (Ajanta Pharma Limited), DOXYCYCLINE HYCLATE (Ajanta Pharma Limited), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals Limited), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals Limited), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals Limited), DOXYCYCLINE HYCLATE (Alembic Pharmaceuticals Limited), DOXYCYCLINE HYCLATE (Alvogen), DOXYCYCLINE (American Health Packaging), DOXYCYCLINE HYCLATE (American Health Packaging), DOXYCYCLINE HYCLATE (Aphena Pharma Solutions - Tennessee), DOXYCYCLINE HYCLATE (Aphena Pharma Solutions - Tennessee), DOXYCYCLINE HYCLATE (Apotex Corp.), DOXYCYCLINE HYCLATE (Asclemed USA), DOXYCYCLINE HYCLATE (AvKARE), DOXYCYCLINE HYCLATE (AvPAK), DOXYCYCLINE HYCLATE (Bi-Coastal Pharma International), DOXYCYCLINE HYCLATE (Bi-Coastal Pharma International), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Bryant Ranch Prepack), DOXYCYCLINE HYCLATE (Cadila Healthcare Limited), DOXYCYCLINE HYCLATE (Cadila Healthcare Limited), DOXYCYCLINE (Cardinal Health), DOXYCYCLINE (Cardinal Health), DOXYCYCLINE HYCLATE (Changzhou Pharmaceutical Factory), DOXYCYCLINE HYCLATE (Changzhou Pharmaceutical Factory), DOXYCYCLINE HYCLATE (Contract Pharmacy Services-PA), DOXYCYCLINE HYCLATE (DIRECT RX), DOXYCYCLINE HYCLATE (DIRECT RX), DOXYCYCLINE HYCLATE (Denton Pharma), DOXYCYCLINE HYCLATE (Denton Pharma), DOXYCYCLINE HYCLATE (Denton Pharma), DOXYCYCLINE HYCLATE (Direct_Rx), DOXYCYCLINE HYCLATE (EPIC PHARMA), DOXYCYCLINE HYCLATE (Epic Pharma), DOXYCYCLINE HYCLATE (Golden State Medical Supply), DOXYCYCLINE HYCLATE (Golden State Medical Supply), DOXYCYCLINE (Golden State Medical Supply), DOXYCYCLINE HYCLATE (Harris Pharmaceutical), DOXYCYCLINE HYCLATE (Harris Pharmaceutical), DOXYCYCLINE HYCLATE (Heritage Pharmaceuticals), DOXYCYCLINE HYCLATE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), DOXYCYCLINE HYCLATE (Hikma Pharmaceuticals USA), DOXYCYCLINE (Hikma Pharmaceuticals USA), DOXYCYCLINE HYCLATE (JG Pharma), TARGADOX (Journey Medical Corporation), DOXYCYCLINE HYCLATE (Lake Erie Medical DBA Quality Care Products LLC), DOXYCYCLINE HYCLATE (Lannett Company), DOXYCYCLINE HYCLATE (Larken Laboratories), DOXYCYCLINE HYCLATE (Lupin Pharmaceuticals), DOXYCYCLINE HYCLATE (Major Pharmaceuticals), DOXYCYCLINE (Major Pharmaceuticals), DOXYCYCLINE HYCLATE (Mayne Pharma), DOXYCYCLINE HYCLATE (Mayne Pharma), DOXYCYCLINE HYCLATE (McKesson Corporation dba SKY Packaging), DOXYCYCLINE HYCLATE (Medsource Pharmaceuticals), DOXYCYCLINE HYCLATE (Mylan Pharmaceuticals), DOXYCYCLINE HYCLATE (Novel Laboratories), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE HYCLATE (NuCare Pharmaceuticals), DOXYCYCLINE (Oaklock), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PD-Rx Pharmaceuticals), DOXYCYCLINE HYCLATE (PURACAP LABORATORIES LLC DBA BLU PHARMACEUTICALS), DOXYCYCLINE HYCLATE (Preferred Pharmaceuticals), DOXYCYCLINE HYCLATE (Preferred Pharmaceuticals), DOXYCYCLINE HYCLATE (Preferred Pharmaceuticals), DOXYCYCLINE HYCLATE (Preferred Pharmaceuticals), DOXYCYCLINE HYCLATE (Proficient Rx LP), DOXYCYCLINE HYCLATE (Proficient Rx LP), DOXYCYCLINE HYCLATE (Proficient Rx LP), DOXYCYCLINE HYCLATE (Proficient Rx LP), DOXYCYCLINE HYCLATE (Proficient Rx LP), DOXYCYCLINE HYCLATE (Quality Care Products), DOXYCYCLATE HYCLATE (REMEDYREPACK), DOXYCYCLINE HYCLATE (REMEDYREPACK), DOXYCYCLINE HYCLATE (REMEDYREPACK), DOXYCYCLINE HYCLATE (REMEDYREPACK), DOXYCYCLINE HYCLATE (RedPharm Drug), DOXYCYCLINE HYCLATE (Solco Healthcare US LLC), DOXYCYCLINE HYCLATE (Sonoma Pharmaceuticals), DOXYCYCLINE (St Marys Medical Park Pharmacy), DOXYCYCLINE HYCLATE (St. Mary's Medical Park Pharmacy), DOXYCYCLINE HYCLATE (Sun Pharmaceutical Industries), DOXYCYCLINE HYCLATE (Sun Pharmaceutical Industries), DOXYCYCLINE HYCLATE (Unit Dose Services), DOXYCYCLINE HYCLATE (Viona Pharmaceuticals), DOXYCYCLINE HYCLATE (West-Ward Pharmaceuticals Corp), DOXYCYCLINE HYCLATE (Zydus Pharmaceuticals (USA)), DOXYCYCLINE HYCLATE (Zydus Pharmaceuticals (USA))
Formula
(C22H24N2O8)2. 2HCl. C2H6O. H2O
Exact mass
1024.3123
Mol weight
1025.8747
Structure
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
Therapeutic category: 6152
ATC code: A01AB22 J01AA02
Chemical structure group: DG00008
Product (DG00008): D00307<US> D02129<JP/US>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
  Disease
Rocky Mountain spotted fever [DS:H00323]
Typhus fever [DS:H00322]
Q fever [DS:H00310]
Rickettsial pox [DS:H02379]
Lymphogranuloma venereum [DS:H00348]
Granuloma inguinale [DS:H01415]
Gonorrhea [DS:H00315]
Chancroid [DS:H00305]
Psittacosis [DS:H00350]
Relapsing fever [DS:H00427]
Plague [DS:H00297]
Tularemia [DS:H00312]
Cholera [DS:H00110]
Campylobacter fetus infections [DS:H00321]
Brucellosis [DS:H00325]
Bartonellosis [DS:H00326]
Trachoma [DS:H00349]
Anthrax [DS:H00328]
Syphilis [DS:H00354]
Yaws [DS:H01318]
Listeriosis [DS:H00332]
Vincent's infection [DS:H01440]
Actinomycosis [DS:H01325]
Amebiasis [DS:H00360]
Malaria [DS:H00361]
Lyme disease [DS:H00353]
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07019  Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D02129  Doxycycline hyclate (USP) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D02129  Doxycycline hyclate (USP) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Doxycycline
    D02129  Doxycycline hyclate (USP)
 Dental and Oral Agents
  Doxycycline
   D02129  Doxycycline hyclate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   615  Acting mainly on gram-positive bacteria, gram-negative bacteria, rickettsia and chlamydia
    6152  Tetracycline antibiotics
     D02129  Doxycycline hyclate (USP); Doxycycline hydrochloride hydrate (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02129  Doxycycline hydrochloride hydrate
  D02129  Doxycycline hydrochloride tablets
Other DBs
CAS: 24390-14-5
PubChem: 7849190
ChEBI: 34730
ChEMBL: CHEMBL3989740
DrugBank: DB00254
LigandBox: D02129
NIKKAJI: J1.592.539F
LinkDB
KCF data

ATOM        70
            1   C1a C    37.7489  -12.8084
            2   C1b C    38.9644  -12.1088
            3   O1a O    40.1800  -12.8084
            4   C1y C    27.9308  -15.6197
            5   C1z C    27.9590  -16.9683
            6   C1y C    29.1130  -14.9598
            7   C1y C    26.7715  -14.9311
            8   C2y C    26.7429  -17.6341
            9   C5x C    29.0729  -17.6626
            10  C2y C    30.2664  -15.6541
            11  C1y C    25.5893  -15.5968
            12  C2y C    25.6479  -16.9510
            13  O1a O    26.7372  -18.9940
            14  C2y C    30.2549  -17.0028
            15  O5x O    29.0252  -19.0227
            16  O1a O    31.4603  -14.9943
            17  C1y C    24.4188  -14.9138
            18  C5x C    24.4073  -17.6283
            19  C5a C    31.4200  -17.7029
            20  C8y C    23.2479  -15.5854
            21  C8y C    23.2422  -16.9453
            22  O5x O    24.4073  -18.9824
            23  N1a N    32.6080  -17.0372
            24  O5a O    31.4482  -19.0628
            25  C8x C    22.0598  -14.9081
            26  C8y C    22.0657  -17.6226
            27  C8x C    20.8891  -15.5910
            28  C8x C    20.8891  -16.9510
            29  O1a O    22.0657  -18.9824
            30  C1a C    24.4240  -13.2010
            31  N1c N    29.1354  -12.7712
            32  C1a C    30.3355  -12.1044
            33  C1a C    27.9578  -12.0654
            34  O1a O    26.7614  -13.2147
            35  O1a O    27.9056  -18.3392
            36  X   Cl   38.8478  -15.3293
            37  O0  O    39.5477  -17.8490
            38  C1y C    27.9308  -15.6197
            39  C1z C    27.9590  -16.9683
            40  C2y C    26.7429  -17.6341
            41  C2y C    25.6479  -16.9510
            42  C5x C    24.4073  -17.6283
            43  C8y C    23.2422  -16.9453
            44  C8y C    22.0657  -17.6226
            45  C8x C    20.8891  -16.9510
            46  C8x C    20.8891  -15.5910
            47  C8x C    22.0598  -14.9081
            48  C8y C    23.2479  -15.5854
            49  C1y C    24.4188  -14.9138
            50  C1y C    25.5893  -15.5968
            51  C1y C    26.7715  -14.9311
            52  O1a O    26.7614  -13.2147
            53  C1a C    24.4240  -13.2010
            54  O1a O    22.0657  -18.9824
            55  O5x O    24.4073  -18.9824
            56  O1a O    26.7372  -18.9940
            57  C5x C    29.0729  -17.6626
            58  C2y C    30.2549  -17.0028
            59  C5a C    31.4200  -17.7029
            60  N1a N    32.6080  -17.0372
            61  O5a O    31.4482  -19.0628
            62  C2y C    30.2664  -15.6541
            63  O1a O    31.4603  -14.9943
            64  C1y C    29.1130  -14.9598
            65  N1c N    29.1354  -12.7712
            66  C1a C    30.3355  -12.1044
            67  C1a C    27.9578  -12.0654
            68  O5x O    29.0252  -19.0227
            69  O1a O    27.9056  -18.3392
            70  X   Cl   38.8478  -15.3293
BOND        72
            1     1   2 1
            2     2   3 1
            3     8  12 2
            4     8  13 1
            5     9  14 1
            6     9  15 2
            7    10  16 1
            8    11  17 1
            9    12  18 1
            10   14  19 1
            11   17  20 1
            12   18  21 1
            13   18  22 2
            14   19  23 1
            15   19  24 2
            16   20  25 1
            17   21  26 1
            18   25  27 2
            19   26  28 2
            20   26  29 1
            21   10  14 2
            22   11  12 1
            23   20  21 2
            24   27  28 1
            25   17  30 1 #Down
            26    6  31 1 #Down
            27    4   5 1
            28   31  32 1
            29    4   6 1
            30   31  33 1
            31    4   7 1
            32    5   8 1
            33    5   9 1
            34    7  34 1 #Down
            35    6  10 1
            36    5  35 1 #Down
            37    7  11 1
            38   40  41 2
            39   40  56 1
            40   57  58 1
            41   57  68 2
            42   62  63 1
            43   50  49 1
            44   41  42 1
            45   58  59 1
            46   49  48 1
            47   42  43 1
            48   42  55 2
            49   59  60 1
            50   59  61 2
            51   48  47 1
            52   43  44 1
            53   47  46 2
            54   44  45 2
            55   44  54 1
            56   62  58 2
            57   50  41 1
            58   48  43 2
            59   46  45 1
            60   49  53 1 #Down
            61   64  65 1 #Down
            62   38  39 1
            63   65  66 1
            64   38  64 1
            65   65  67 1
            66   38  51 1
            67   39  40 1
            68   39  57 1
            69   51  52 1 #Down
            70   64  62 1
            71   39  69 1 #Down
            72   51  50 1
BRACKET     1    20.0900  -19.8800   20.0900  -10.9900
            1    34.3700  -10.9900   34.3700  -19.8800
            1  2
 ORIGINAL  1    4   5   8  12  18  21  26  28  27  25  20  17  11  35   7  36
            1   30  29  22  13   9  14  19  23  24  10  16   6  31  32  33  15
            1   37  34
 REPEAT    1   40  41  42  43  44  45  46  47  48  49  50  51  52  53  54  55
            1   56  57  58  59  60  61  62  63  64  65  66  67  68  69  70  71
            1   72  73
            2    37.1700  -16.1700   37.1700  -14.4200
            2    39.7600  -14.4200   39.7600  -16.1700
            2  2
 ORIGINAL  2   38
 REPEAT    2   74

» Japanese version   » Back

KEGG   DRUG: Doxycycline calcium
Entry
D03903                      Drug                                   

Name
Doxycycline calcium (USP)
Formula
C22H20N2O8. 2Ca
Exact mass
520.0471
Mol weight
520.5588
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: A01AB22 J01AA02
Chemical structure group: DG00008
Product (DG00008): D00307<US> D02129<JP/US>
Efficacy
Antibacterial, Antiprotozoal, Protein biosynthesis inhibitor
  Disease
Rocky Mountain spotted fever [DS:H00323]
Typhus fever [DS:H00322]
Q fever [DS:H00310]
Lymphogranuloma venereum [DS:H00348]
Psittacosis [DS:H00350]
Trachoma [DS:H00349]
Relapsing fever [DS:H00427]
Chancroid [DS:H00305]
Plague [DS:H00297]
Tularemia [DS:H00312]
Cholera [DS:H00110]
Campylobacter fetus infection [DS:H00321]
Brucellosis [DS:H00325]
Bartonellosis [DS:H00326]
Granuloma inguinale [DS:H01415]
Anthrax [DS:H00328]
Gonorrhea [DS:H00315]
Syphilis [DS:H00354]
Yaws [DS:H01318]
Listeriosis [DS:H00332]
Vincent's infection [DS:H01440]
Actinomycosis [DS:H01325]
Amebiasis [DS:H00360]
Severe acne [DS:H01445]
Malaria [DS:H00361]
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07019  Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D03903  Doxycycline calcium (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D03903  Doxycycline calcium (USP)
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Doxycycline
    D03903  Doxycycline calcium (USP)
Other DBs
CAS: 94088-85-4
PubChem: 17397986
DrugBank: DB00254
LigandBox: D03903
NIKKAJI: J290.632E
LinkDB
KCF data

ATOM        34
            1   Z   Ca   29.8200  -20.5939 #2+
            2   C8x C    12.1800  -20.0200
            3   C8x C    12.1800  -21.4200
            4   C8y C    13.3924  -22.1200
            5   C8y C    14.6049  -21.4200
            6   C8y C    14.6049  -20.0200
            7   C8x C    13.3924  -19.3200
            8   C5x C    15.8173  -22.1200
            9   C2y C    17.0297  -21.4200
            10  C1y C    17.0297  -20.0200
            11  C1y C    15.8173  -19.3200
            12  C2y C    18.2422  -22.1200
            13  C1z C    19.4546  -21.4200
            14  C1y C    19.4546  -20.0200
            15  C1y C    18.2422  -19.3200
            16  C5x C    20.6670  -22.1200
            17  C2y C    21.8795  -21.4200
            18  C2y C    21.8795  -20.0200
            19  C1y C    20.6670  -19.3200
            20  C5a C    23.1146  -22.1334
            21  N1a N    24.3219  -21.4366
            22  O5a O    23.1142  -23.5199
            23  O1a O    23.1146  -19.3066
            24  N1c N    20.6670  -17.9201
            25  C1a C    19.4418  -17.2126
            26  C1a C    21.8667  -17.2274
            27  O1a O    18.2422  -17.9203 #-
            28  C1a C    15.8173  -17.9200
            29  O1a O    13.3924  -23.5198 #-
            30  O5x O    15.8173  -23.5200
            31  O1a O    18.2422  -23.5197 #-
            32  O1a O    19.4546  -22.8200 #-
            33  O5x O    20.6670  -23.5199
            34  Z   Ca   29.8200  -20.5939 #2+
BOND        35
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 2
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17   13  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 1
            22   17  20 1
            23   20  21 1
            24   20  22 2
            25   18  23 1
            26   19  24 1 #Down
            27   24  25 1
            28   24  26 1
            29   15  27 1 #Down
            30   11  28 1 #Down
            31    4  29 1
            32    8  30 2
            33   12  31 1
            34   13  32 1 #Down
            35   16  33 2
BRACKET     1    28.4200  -21.9100   28.4200  -18.9700
            1    32.2000  -18.9700   32.2000  -21.9100
            1  2
 ORIGINAL  1    1
 REPEAT    1   36

» Japanese version   » Back

KEGG   DRUG: Doxycycline
Entry
D07876                      Drug                                   

Name
Doxycycline (INN);
DOXY;
Doxychel (TN);
Doxycycline (TN)
Formula
C22H24N2O8
Exact mass
444.1533
Mol weight
444.4346
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
Same as: C06973
ATC code: A01AB22 J01AA02
Chemical structure group: DG00008
Product (DG00008): D00307<US> D02129<JP/US>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07019  Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D07876  Doxycycline (INN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D07876  Doxycycline (INN)
Other DBs
CAS: 564-25-0
PubChem: 96024572
ChEBI: 50845
ChEMBL: CHEMBL1433 CHEMBL1616405 CHEMBL1624566
DrugBank: DB00254
PDB-CCD: DXT[PDBj]
LigandBox: D07876
NIKKAJI: J6.511K
LinkDB
KCF data

ATOM        32
            1   C1y C    25.3288  -17.9821
            2   C1z C    25.3288  -19.3115
            3   C1y C    26.5183  -17.3524
            4   C1y C    24.1394  -17.2824
            5   C2y C    24.1394  -20.0112
            6   C5x C    26.4483  -20.0112
            7   C2y C    27.6378  -18.0520
            8   C1y C    23.0199  -17.9821
            9   C2y C    23.0199  -19.3115
            10  O1a O    24.1394  -21.3406
            11  C2y C    27.6378  -19.3815
            12  O5x O    26.4483  -21.4106
            13  O1a O    28.8273  -17.3524
            14  C1y C    21.8304  -17.2824
            15  C5x C    21.8304  -20.0112
            16  C5a C    28.8273  -20.0811
            17  C8y C    20.6409  -17.9821
            18  C8y C    20.6409  -19.3115
            19  O5x O    21.8304  -21.3406
            20  N1a N    30.0168  -19.3815
            21  O5a O    28.8273  -21.4106
            22  C8x C    19.4514  -17.2824
            23  C8y C    19.4514  -20.0112
            24  C8x C    18.2620  -17.9821
            25  C8x C    18.2620  -19.3115
            26  O1a O    19.4514  -21.3406
            27  C1a C    21.8304  -15.6031
            28  N1c N    26.5183  -15.1133
            29  C1a C    27.7078  -14.4836
            30  C1a C    25.3288  -14.4136
            31  O1a O    24.1394  -15.6031
            32  O1a O    25.3288  -20.7109
BOND        35
            1     5   9 2
            2     5  10 1
            3     6  11 1
            4     6  12 2
            5     7  13 1
            6     8  14 1
            7     9  15 1
            8    11  16 1
            9    14  17 1
            10   15  18 1
            11   15  19 2
            12   16  20 1
            13   16  21 2
            14   17  22 1
            15   18  23 1
            16   22  24 2
            17   23  25 2
            18   23  26 1
            19    7  11 2
            20    8   9 1
            21   17  18 2
            22   24  25 1
            23   14  27 1 #Down
            24    3  28 1 #Down
            25    1   2 1
            26   28  29 1
            27    1   3 1
            28   28  30 1
            29    1   4 1
            30    2   5 1
            31    2   6 1
            32    4  31 1 #Down
            33    3   7 1
            34    2  32 1 #Down
            35    4   8 1

» Japanese version   » Back

KEGG   DRUG: Doxycycline hydrochloride
Entry
D07877                      Drug                                   

Name
Doxycycline hydrochloride;
Vibramycin (TN)
Formula
C22H24N2O8. HCl
Exact mass
480.1299
Mol weight
480.8955
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: A01AB22 J01AA02
Chemical structure group: DG00008
Product (DG00008): D00307<US> D02129<JP/US>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07019  Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D07877  Doxycycline hydrochloride
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D07877  Doxycycline hydrochloride
Other DBs
CAS: 10592-13-9
PubChem: 96024573
ChEBI: 652992
ChEMBL: CHEMBL1256723 CHEMBL1356352 CHEMBL1574167
LigandBox: D07877
NIKKAJI: J369.073C
LinkDB
KCF data

ATOM        33
            1   C1y C    25.3400  -17.9900
            2   C1z C    25.3400  -19.3200
            3   C1y C    26.5300  -17.3600
            4   C1y C    24.1500  -17.2900
            5   C2y C    24.1500  -20.0200
            6   C5x C    26.4600  -20.0200
            7   C2y C    27.6500  -18.0600
            8   C1y C    23.0300  -17.9900
            9   C2y C    23.0300  -19.3200
            10  O1a O    24.1500  -21.3500
            11  C2y C    27.6500  -19.3900
            12  O5x O    26.4600  -21.4200
            13  O1a O    28.8400  -17.3600
            14  C1y C    21.8400  -17.2900
            15  C5x C    21.8400  -20.0200
            16  C5a C    28.8400  -20.0900
            17  C8y C    20.6500  -17.9900
            18  C8y C    20.6500  -19.3200
            19  O5x O    21.8400  -21.3500
            20  N1a N    30.0300  -19.3900
            21  O5a O    28.8400  -21.4200
            22  C8x C    19.4600  -17.2900
            23  C8y C    19.4600  -20.0200
            24  C8x C    18.2700  -17.9900
            25  C8x C    18.2700  -19.3200
            26  O1a O    19.4600  -21.3500
            27  C1a C    21.8400  -15.6100
            28  N1c N    26.5300  -15.1200
            29  C1a C    27.7200  -14.4900
            30  C1a C    25.3400  -14.4200
            31  O1a O    24.1500  -15.6100
            32  O1a O    25.3400  -20.7200
            33  X   Cl   33.2500  -18.2000
BOND        35
            1     5   9 2
            2     5  10 1
            3     6  11 1
            4     6  12 2
            5     7  13 1
            6     8  14 1
            7     9  15 1
            8    11  16 1
            9    14  17 1
            10   15  18 1
            11   15  19 2
            12   16  20 1
            13   16  21 2
            14   17  22 1
            15   18  23 1
            16   22  24 2
            17   23  25 2
            18   23  26 1
            19    7  11 2
            20    8   9 1
            21   17  18 2
            22   24  25 1
            23   14  27 1 #Down
            24    3  28 1 #Down
            25    1   2 1
            26   28  29 1
            27    1   3 1
            28   28  30 1
            29    1   4 1
            30    2   5 1
            31    2   6 1
            32    4  31 1 #Down
            33    3   7 1
            34    2  32 1 #Down
            35    4   8 1

» Japanese version   » Back

DBGET integrated database retrieval system