KEGG   DRUG: D08566Help
Entry
D08566                      Drug                                   

Name
Temocapril (INN)
Formula
C23H28N2O5S2
Exact mass
476.144
Mol weight
476.6088
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
ACE-inhibitor;
Antihypertensive
Remark
ATC code: 
Comment
prodrug, active substance: Temocaprilat [CPD:C11373]
Target
angiotensin-converting enzyme (ACE) inhibitor [HSA:1636] [KO:K01283]
  Pathway
hsa04614  Renin-angiotensin system  
 
Interaction
Drug interaction
Structure map
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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   angiotensin-converting enzyme (ACE) [HSA:1636] [KO:K01283]
    Temocapril [ATC:C09AA14]
     D08566  Temocapril (INN)
BRITE hierarchy
Other DBs
CAS: 
111902-57-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

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

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