KEGG   DRUG: D09976Help
Entry
D09976                      Drug                                   

Name
Temanogrel (USAN/INN);
APD791
Formula
C24H28N4O4
Exact mass
436.2111
Mol weight
436.5035
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-platelet agent
Remark
Drug group: 
Target
5-HT2A-receptor antagonist [HSA:3356] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT2A-receptor
     Temanogrel
      D09976  Temanogrel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
887936-68-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8y C    12.6000  -19.7400
            2   C8x C    12.6000  -21.1400
            3   C8x C    13.7900  -21.8400
            4   C8x C    15.0500  -21.1400
            5   C8y C    15.0500  -19.7400
            6   C8x C    13.7900  -19.0400
            7   C5a C    16.2400  -19.0400
            8   N1b N    17.4300  -19.7400
            9   C8y C    18.6200  -19.0400
            10  O5a O    16.2400  -17.6400
            11  O2a O    11.4100  -19.0400
            12  C1a C    10.2200  -19.7400
            13  C8x C    19.8100  -19.7400
            14  C8y C    21.0700  -19.0400
            15  C8y C    21.0700  -17.6400
            16  C8x C    19.8800  -16.9400
            17  C8x C    18.6200  -17.6400
            18  O2a O    22.2600  -16.9400
            19  C1b C    23.4500  -17.6400
            20  C1b C    24.6400  -16.9400
            21  N1y N    25.8300  -17.6400
            22  C8y C    22.2600  -19.7400
            23  N4y N    22.2600  -21.1400
            24  N5x N    23.5900  -21.5600
            25  C8x C    24.4300  -20.4400
            26  C8x C    23.5900  -19.3200
            27  C1a C    21.0700  -21.8400
            28  C1x C    25.8300  -19.0400
            29  C1x C    27.0424  -19.7400
            30  O2x O    28.2549  -19.0400
            31  C1x C    28.2549  -17.6400
            32  C1x C    27.0424  -16.9400
BOND        35
            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    7  10 2
            11    1  11 1
            12   11  12 1
            13    9  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18    9  17 2
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   14  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   22  26 2
            29   23  27 1
            30   21  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   21  32 1

» Japanese version   » Back

DBGET integrated database retrieval system