KEGG   DRUG: D09977Help
Entry
D09977                      Drug                                   

Name
Temanogrel hydrochloride (USAN)
Formula
C24H28N4O4. HCl
Exact mass
472.1877
Mol weight
472.9645
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
      D09977  Temanogrel hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
957466-27-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        33
            1   C8y C    23.4500  -27.7900
            2   C8x C    23.4500  -29.1900
            3   C8x C    24.7100  -29.8900
            4   C8x C    25.9700  -29.1900
            5   C8y C    25.9700  -27.7900
            6   C8x C    24.7100  -27.0900
            7   C5a C    27.1600  -27.0900
            8   N1b N    28.3500  -27.7900
            9   C8y C    29.5400  -27.0900
            10  O5a O    27.1600  -25.6900
            11  O2a O    22.2600  -27.0900
            12  C1a C    21.0700  -27.7900
            13  C8x C    30.7300  -27.7900
            14  C8y C    31.9900  -27.0900
            15  C8y C    31.9900  -25.6900
            16  C8x C    30.8000  -24.9900
            17  C8x C    29.5400  -25.6900
            18  O2a O    33.1800  -24.9900
            19  C1b C    34.3700  -25.6900
            20  C1b C    35.5600  -24.9900
            21  N1y N    36.7500  -25.6900
            22  C8y C    33.1800  -27.7900
            23  N4y N    33.1800  -29.1900
            24  N5x N    34.5100  -29.6100
            25  C8x C    35.3500  -28.4900
            26  C8x C    34.5100  -27.3700
            27  C1a C    31.9900  -29.8900
            28  C1x C    36.7500  -27.0900
            29  C1x C    37.9400  -27.7900
            30  O2x O    39.2000  -27.0900
            31  C1x C    39.2000  -25.6900
            32  C1x C    37.9400  -24.9900
            33  X   Cl   38.2900  -29.5400
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

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