KEGG   DRUG: Temocapril
Entry
D08566                      Drug                                   
Name
Temocapril (INN)
Formula
C23H28N2O5S2
Exact mass
476.144
Mol weight
476.6088
Structure
Simcomp
Class
Cardiovascular agent
 DG01925  Renin-angiotensin system inhibitor
  DG01501  Angiotensin-converting enzyme inhibitor
 DG03231  Antihypertensive
  DG01501  Angiotensin-converting enzyme inhibitor
Remark
ATC code: C09AA14
Chemical structure group: DG00345
Product (DG00345): D01119<JP>
Efficacy
Antihypertensive, Angiotensin-converting enzyme inhibitor
Comment
Active form of prodrug: Temocaprilat [CPD:C11373]
Target
ACE (CD143) [HSA:1636] [KO:K01283]
  Pathway
hsa04614  Renin-angiotensin system
Interaction
Structure map
map07217  Renin-angiotensin system inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09A ACE INHIBITORS, PLAIN
    C09AA ACE inhibitors, plain
     C09AA14 Temocapril
      D08566  Temocapril (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
     D08566  Temocapril
  DG03231  Antihypertensive
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
     D08566  Temocapril
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-dipeptidases
    ACE (CD143)
     D08566  Temocapril (INN)
Prodrugs [br08324.html]
 D08566
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
  DG03231  Antihypertensive
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
Prodrugs [br08324.html]
 DG00345
Other DBs
CAS: 111902-57-9
PubChem: 96025250
LigandBox: D08566
NIKKAJI: J245.716D
LinkDB
KCF data

ATOM        32
            1   S2x S    30.2400  -15.8900
            2   C8x C    31.3600  -15.1200
            3   C8x C    30.9400  -13.7200
            4   C8x C    29.5400  -13.7200
            5   C8y C    29.1200  -15.1200
            6   C8y C    19.1100  -17.9900
            7   C1b C    20.3000  -17.2900
            8   C1b C    21.4900  -17.9900
            9   C1c C    22.7500  -17.2900
            10  N1b N    23.9400  -17.9900
            11  C1y C    25.1300  -17.2900
            12  C1x C    25.4800  -15.8900
            13  S2x S    26.7400  -15.3300
            14  C1y C    28.0000  -15.9600
            15  C1x C    28.2800  -17.2900
            16  C5x C    26.0400  -18.4100
            17  N1y N    27.4400  -18.4100
            18  O5x O    25.4100  -19.6700
            19  C8x C    17.9200  -17.2900
            20  C8x C    16.6600  -17.9900
            21  C8x C    16.6600  -19.3900
            22  C8x C    17.9200  -20.0900
            23  C8x C    19.1100  -19.3900
            24  C7a C    22.7500  -15.8900
            25  O6a O    23.9400  -15.1900
            26  O7a O    21.4900  -15.1900
            27  C1b C    20.3000  -15.8900
            28  C1a C    19.1100  -15.1900
            29  C1b C    28.0000  -19.6700
            30  C6a C    27.2300  -20.7900
            31  O6a O    27.7900  -22.1200
            32  O6a O    25.8300  -20.7900
BOND        34
            1     7   8 1
            2    15  17 1
            3    16  17 1
            4     1   2 1
            5    16  18 2
            6     8   9 1
            7     2   3 2
            8     9  10 1
            9     3   4 1
            10   11  10 1 #Up
            11    6  19 2
            12   19  20 1
            13   20  21 2
            14   21  22 1
            15   22  23 2
            16   23   6 1
            17    5   1 1
            18    9  24 1 #Up
            19    4   5 2
            20   24  25 2
            21   12  13 1
            22   24  26 1
            23   26  27 1
            24   13  14 1
            25   27  28 1
            26   14   5 1 #Down
            27   12  11 1
            28   17  29 1
            29    6   7 1
            30   29  30 1
            31   14  15 1
            32   30  31 2
            33   30  32 1
            34   11  16 1

» Japanese version   » Back

KEGG   DRUG: Temocapril hydrochloride
Entry
D01119                      Drug                                   
Name
Temocapril hydrochloride (JP18/USAN);
Acecol (TN)
Formula
C23H28N2O5S2. HCl
Exact mass
512.1206
Mol weight
513.0698
Structure
Simcomp
Class
Cardiovascular agent
 DG01925  Renin-angiotensin system inhibitor
  DG01501  Angiotensin-converting enzyme inhibitor
 DG03231  Antihypertensive
  DG01501  Angiotensin-converting enzyme inhibitor
Remark
Therapeutic category: 2144
ATC code: C09AA14
Chemical structure group: DG00345
Product (DG00345): D01119<JP>
Efficacy
Antihypertensive, Angiotensin-converting enzyme inhibitor
Comment
Active form of prodrug: Temocaprilat [CPD:C11373]
Target
ACE (CD143) [HSA:1636] [KO:K01283]
  Pathway
hsa04614  Renin-angiotensin system
Interaction
Structure map
map07217  Renin-angiotensin system inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09A ACE INHIBITORS, PLAIN
    C09AA ACE inhibitors, plain
     C09AA14 Temocapril
      D01119  Temocapril hydrochloride (JP18/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2144  Angiotensin converting enzyme inhibitors
     D01119  Temocapril hydrochloride (JP18/USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
     D01119  Temocapril hydrochloride
  DG03231  Antihypertensive
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
     D01119  Temocapril hydrochloride
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01501  Angiotensin-converting enzyme inhibitor
   D01119  Temocapril hydrochloride
  DG03231  Antihypertensive
   D01119  Temocapril hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-dipeptidases
    ACE (CD143)
     D01119  Temocapril hydrochloride (JP18/USAN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01119  Temocapril hydrochloride
  D01119  Temocapril hydrochloride tablets
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
  DG03231  Antihypertensive
   DG01501  Angiotensin-converting enzyme inhibitor
    DG00345  Temocapril
Prodrugs [br08324.html]
 DG00345
Other DBs
CAS: 110221-44-8
PubChem: 7848182
ChEBI: 32190
LigandBox: D01119
NIKKAJI: J246.886G
LinkDB
KCF data

ATOM        33
            1   S2x S    29.4714  -15.9075
            2   C8x C    30.6077  -15.0884
            3   C8x C    30.1717  -13.7501
            4   C8x C    28.7711  -13.7501
            5   C8y C    28.3351  -15.0884
            6   C8y C    18.3350  -17.9988
            7   C1b C    19.5446  -17.2985
            8   C1b C    20.7542  -17.9918
            9   C1c C    21.9639  -17.2915
            10  N1b N    23.1735  -17.9847
            11  C1y C    24.3831  -17.2844
            12  C1x C    24.7103  -15.9193
            13  S2x S    25.9744  -15.3312
            14  C1y C    27.2331  -15.9529
            15  C1x C    27.5358  -17.3180
            16  C5x C    25.2469  -18.3898
            17  N1y N    26.6493  -18.3998
            18  O5x O    24.6286  -19.6466
            19  C8x C    17.1291  -17.3016
            20  C8x C    15.9195  -18.0019
            21  C8x C    15.9212  -19.3996
            22  C8x C    17.1325  -20.0970
            23  C8x C    18.3421  -19.3967
            24  C7a C    21.9544  -15.8865
            25  O6a O    23.1626  -15.1780
            26  O7a O    20.7368  -15.1943
            27  C1b C    19.5285  -15.9028
            28  C1a C    18.3109  -15.2106
            29  C1b C    27.2440  -19.6678
            30  C6a C    26.4432  -20.8170
            31  O6a O    27.0379  -22.0851
            32  O6a O    25.0386  -20.8099
            33  X   Cl   30.8574  -19.4470
BOND        34
            1     7   8 1
            2    15  17 1
            3    16  17 1
            4     1   2 1
            5    16  18 2
            6     8   9 1
            7     2   3 2
            8     9  10 1
            9     3   4 1
            10   11  10 1 #Up
            11    6  19 2
            12   19  20 1
            13   20  21 2
            14   21  22 1
            15   22  23 2
            16   23   6 1
            17    5   1 1
            18    9  24 1 #Up
            19    4   5 2
            20   24  25 2
            21   12  13 1
            22   24  26 1
            23   26  27 1
            24   13  14 1
            25   27  28 1
            26   14   5 1 #Down
            27   12  11 1
            28   17  29 1
            29    6   7 1
            30   29  30 1
            31   14  15 1
            32   30  31 2
            33   30  32 1
            34   11  16 1

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