KEGG   DRUG: TerbogrelHelp
Entry
D06077                      Drug                                   

Name
Terbogrel (USAN/INN)
Formula
C23H27N5O2
Exact mass
405.2165
Mol weight
405.4928
Structure
Mol fileKCF fileDB search
Efficacy
Platelet aggregation inhibitor, Thromboxane A2 (TXA2) receptor antagonist, Thromboxane A2 (TXA2) synthase inhibitor
Target
TBXA2R [HSA:6915] [KO:K04264]
TBXAS1 (CYP5A1) [HSA:6916] [KO:K01832]
  Pathway
hsa04611  Platelet activation
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thromboxane
    TBXA2R
     D06077  Terbogrel (USAN/INN)
 Enzymes
  Isomerases (EC5)
   Thromboxane-A synthase
    TBXAS1 (CYP5A1)
     D06077  Terbogrel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 149979-74-8
PubChem: 47207735
ChEMBL: CHEMBL281398
LigandBox: D06077
NIKKAJI: J943.175F
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8x C    24.8615  -24.3139
            2   C8x C    24.8615  -25.7158
            3   N5x N    26.0757  -26.4168
            4   C8x C    27.2899  -25.7158
            5   C8y C    27.2899  -24.3139
            6   C8x C    26.0757  -23.6129
            7   C8x C    29.7181  -25.7158
            8   C8y C    29.7181  -24.3139
            9   C2c C    28.5040  -23.6129
            10  C8x C    30.9323  -26.4168
            11  C8x C    32.1465  -25.7158
            12  C8y C    32.1465  -24.3139
            13  C8x C    30.9323  -23.6129
            14  C2b C    28.5040  -22.2109
            15  C1b C    29.7202  -21.5087
            16  C1b C    29.7202  -20.1081
            17  C1b C    30.9180  -19.4164
            18  C6a C    30.9181  -18.0052
            19  O6a O    32.1113  -17.3162
            20  O6a O    29.6830  -17.2918
            21  N2b N    33.3566  -23.6152
            22  C2c C    34.5825  -24.3234
            23  N1b N    35.8076  -23.6169
            24  N1b N    34.5820  -25.6900
            25  C3b C    37.0316  -24.3249
            26  N3a N    38.2441  -25.0249
            27  C1d C    35.7926  -26.3897
            28  C1a C    34.8027  -27.3796
            29  C1a C    37.0051  -27.0897
            30  C1a C    36.7826  -25.3997
BOND        31
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 2
            22   12  21 1
            23   21  22 2
            24   22  23 1
            25   22  24 1
            26   23  25 1
            27   25  26 3
            28   24  27 1
            29   27  28 1
            30   27  29 1
            31   27  30 1

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