KEGG   DRUG: Pivampicillin
Entry
D08396                      Drug                                   

Name
Pivampicillin (INN);
Pondocillin (TN)
Formula
C22H29N3O6S
Exact mass
463.1777
Mol weight
463.5472
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01780  Extended spectrum penicillin
Remark
Same as: C11750
ATC code: J01CA02
Chemical structure group: DG00518
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Comment
Active form of prodrug: Ampicillin [DR:D00204]
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA02 Pivampicillin
      D08396  Pivampicillin (INN)
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D08396  Pivampicillin (INN)
Prodrugs [br08324.html]
 D08396
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    DG00518  Pivampicillin
Prodrugs [br08324.html]
 DG00518
Other DBs
CAS: 33817-20-8
PubChem: 96025082
ChEBI: 8255
ChEMBL: CHEMBL3182343
DrugBank: DB01604
LigandBox: D08396
NIKKAJI: J17.773C
LinkDB
KCF data

ATOM        32
            1   C1y C    22.6800  -16.6600
            2   C5x C    22.6800  -18.0600
            3   N1y N    24.0800  -18.0600
            4   C1y C    24.0800  -16.6600
            5   C1y C    25.4100  -18.4800
            6   C1z C    26.2500  -17.3600
            7   S2x S    25.4100  -16.2400
            8   C1a C    27.2300  -18.3400
            9   C1a C    27.2300  -16.3800
            10  C7a C    25.9000  -19.8100
            11  O7a O    27.3000  -19.8100
            12  O6a O    25.0600  -21.0000
            13  N1b N    21.4900  -15.9600
            14  C5a C    20.3000  -16.6600
            15  O5x O    21.4900  -18.7600
            16  O5a O    20.3000  -18.0600
            17  C1c C    19.0400  -15.9600
            18  C8y C    17.8500  -16.6600
            19  N1a N    19.0400  -14.5600
            20  C8x C    16.6600  -15.9600
            21  C8x C    15.4000  -16.6600
            22  C8x C    15.4000  -18.0600
            23  C8x C    16.6600  -18.7600
            24  C8x C    17.8500  -18.0600
            25  C1b C    28.0000  -21.0700
            26  O7a O    29.4000  -21.0700
            27  C7a C    30.1000  -19.8800
            28  O6a O    29.4000  -18.6900
            29  C1d C    31.5000  -19.8800
            30  C1a C    32.9000  -19.8800
            31  C1a C    31.5000  -18.4800
            32  C1a C    31.5000  -21.2800
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   11  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   27  29 1
            32   29  30 1
            33   29  31 1
            34   29  32 1

» Japanese version   » Back

KEGG   DRUG: Pivampicillin hydrochloride
Entry
D02508                      Drug                                   

Name
Pivampicillin hydrochloride (USAN)
Formula
C22H29N3O6S. HCl
Exact mass
499.1544
Mol weight
500.0081
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01780  Extended spectrum penicillin
Remark
ATC code: J01CA02
Chemical structure group: DG00518
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Comment
Active form of prodrug: Ampicillin [DR:D00204]
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA02 Pivampicillin
      D02508  Pivampicillin hydrochloride (USAN)
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D02508  Pivampicillin hydrochloride (USAN)
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    DG00518  Pivampicillin
Prodrugs [br08324.html]
 DG00518
Other DBs
CAS: 26309-95-5
PubChem: 17396682
ChEMBL: CHEMBL3989898
LigandBox: D02508
NIKKAJI: J410.845K
LinkDB
KCF data

ATOM        33
            1   C1y C     9.0068  -15.1485
            2   C5x C     9.0068  -16.5531
            3   N1y N    10.4114  -16.5531
            4   C1y C    10.4114  -15.1485
            5   C1y C    11.7457  -16.9744
            6   C1z C    12.5883  -15.8507
            7   S2x S    11.7457  -14.7271
            8   C1a C    13.5717  -16.8340
            9   C1a C    13.5717  -14.8675
            10  C7a C    12.2373  -18.3087
            11  O7a O    13.6418  -18.3087
            12  O6a O    11.3944  -19.4323
            13  N1b N     7.8129  -14.4462
            14  C5a C     6.6190  -15.1485
            15  O5x O     7.8129  -17.2553
            16  O5a O     6.6190  -16.5531
            17  C1c C     5.3998  -14.4511
            18  C8y C     4.2076  -15.1462
            19  N1a N     5.3998  -13.0501
            20  C8x C     2.9942  -14.4457
            21  C8x C     1.7809  -15.1462
            22  C8x C     1.7809  -16.5472
            23  C8x C     2.9942  -17.2477
            24  C8x C     4.2076  -16.5472
            25  C1b C    14.3596  -19.5517
            26  O7a O    15.7528  -19.5514
            27  C7a C    16.4605  -18.3250
            28  O6a O    15.7661  -17.1229
            29  C1d C    17.8499  -18.3248
            30  C1a C    19.2499  -18.3248
            31  C1a C    17.8498  -16.9400
            32  C1a C    17.8500  -19.7400
            33  X   Cl   18.1333  -14.9826
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   11  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   27  29 1
            32   29  30 1
            33   29  31 1
            34   29  32 1

» Japanese version   » Back

KEGG   DRUG: Octanoic acid
Entry
D05220                      Drug                                   

Name
Octanoic acid (USAN/INN);
Caprylic acid (NF)
Formula
C8H16O2
Exact mass
144.115
Mol weight
144.2114
Structure
Simcomp
Remark
Same as: C06423
Efficacy
Antifungal
Structure map
map07011  Penicillins
Other DBs
CAS: 124-07-2
PubChem: 47206939
ChEBI: 28837
ChEMBL: CHEMBL324846
DrugBank: DB04519
PDB-CCD: OCA[PDBj]
LigandBox: D05220
NIKKAJI: J2.013C
LinkDB
KCF data

ATOM        10
            1   C1b C    23.8599  -17.3604
            2   C1b C    25.0768  -18.0592
            3   C1b C    22.6486  -18.0592
            4   C1b C    26.2881  -17.3604
            5   C6a C    21.4316  -17.3604
            6   C1b C    27.4992  -18.0592
            7   O6a O    20.2205  -18.0592
            8   O6a O    21.4316  -15.9570
            9   C1b C    28.7162  -17.3604
            10  C1a C    29.9216  -18.0592
BOND        9
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     5   8 2
            8     6   9 1
            9     9  10 1

» Japanese version   » Back

KEGG   DRUG: Octazamide
Entry
D05221                      Drug                                   

Name
Octazamide (USAN/INN)
Formula
C13H15NO2
Exact mass
217.1103
Mol weight
217.2637
Structure
Efficacy
Analgesic
Structure map
map07011  Penicillins
Other DBs
CAS: 56391-55-0
PubChem: 47206940
ChEMBL: CHEMBL2106524
LigandBox: D05221
NIKKAJI: J12.614D
LinkDB
KCF data

ATOM        16
            1   C8x C    27.7973  -16.8667
            2   C8x C    27.7973  -18.2608
            3   C8x C    29.0046  -18.9579
            4   C8x C    30.2120  -18.2608
            5   C8y C    30.2120  -16.8667
            6   C8x C    29.0046  -16.1697
            7   C5a C    31.4379  -16.1587
            8   N1y N    32.6381  -16.8515
            9   C1x C    32.5969  -18.2591
            10  C1y C    33.9197  -18.7345
            11  C1y C    34.7807  -17.6235
            12  C1x C    33.9901  -16.4613
            13  C1x C    34.7103  -19.8968
            14  O2x O    36.1300  -19.5040
            15  C1x C    36.1035  -18.0991
            16  O5a O    31.4376  -14.7756
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    8  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 1
            18    7  16 2

» Japanese version   » Back

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