KEGG   DRUG: OtenabantHelp
Entry
D09362                      Drug                                   

Name
Otenabant (USAN/INN)
Formula
C25H25Cl2N7O
Exact mass
509.1498
Mol weight
510.4183
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Other
 DG01706  Antiobesity
  DG01705  Anoretic
   DG01754  Cannabinoid receptor inverse agonist
Remark
Chemical group: 
Activity
Antiobesity, Cannabinoid receptor inverse agonist
Comment
Treatment of obesity
Target
CNR1 [HSA:1268] [KO:K04277]
  Pathway
Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    cannabinoid receptor 1
     Otenabant
      D09362  Otenabant (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
686344-29-6
PubChem: 
ChEMBL: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    12.0400  -21.3500
            2   N4y N    12.0400  -22.7500
            3   C8y C    13.3700  -23.1700
            4   C8y C    14.2100  -22.0500
            5   N5x N    13.3700  -20.9300
            6   C8y C    10.9200  -20.5100
            7   C8y C    10.9200  -23.5900
            8   C8x C     8.4700  -19.1100
            9   C8x C     8.4700  -20.5100
            10  C8x C     9.6600  -21.2100
            11  C8y C    10.9200  -19.1100
            12  C8x C     9.6600  -18.4100
            13  X   Cl   12.1100  -18.4100
            14  C8x C     8.4700  -23.5900
            15  C8y C     8.4700  -24.9900
            16  C8x C     9.6600  -25.6900
            17  C8x C    10.9200  -24.9900
            18  C8x C     9.6600  -22.8900
            19  X   Cl    7.2547  -25.6851
            20  N5x N    13.9199  -24.4575
            21  C8x C    15.3099  -24.6249
            22  N5x N    16.1499  -23.5049
            23  C8y C    15.5999  -22.2175
            24  N1y N    16.4569  -21.0752
            25  C1x C    17.8394  -21.2419
            26  C1x C    18.6795  -20.1220
            27  C1z C    18.1297  -18.8345
            28  C1x C    16.7472  -18.6678
            29  C1x C    15.9071  -19.7877
            30  C5a C    17.5783  -17.5433
            31  N1a N    16.1836  -17.3750
            32  O5a O    18.4028  -16.4446
            33  N1b N    19.5297  -18.8345
            34  C1b C    20.2279  -20.0437
            35  C1a C    21.6298  -20.0437
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     2   7 1
            8     8   9 2
            9     9  10 1
            10   10   6 2
            11   11  12 2
            12    8  12 1
            13    6  11 1
            14   11  13 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17   7 1
            19   14  18 1
            20    7  18 2
            21   15  19 1
            22    3  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26    4  23 2
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   24  29 1
            34   27  30 1
            35   30  31 1
            36   30  32 2
            37   27  33 1
            38   33  34 1
            39   34  35 1

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