KEGG   DRUG: Otenabant hydrochloride
Entry
D09363                      Drug                                   

Name
Otenabant hydrochloride (USAN)
Formula
C25H25Cl2N7O. HCl
Exact mass
545.1264
Mol weight
546.8792
Structure
Simcomp
Class
Other
 DG01706  Antiobesity
  DG01705  Anoretic
   DG01754  Cannabinoid receptor inverse agonist
Remark
Chemical structure group: DG01351
Efficacy
Antiobesity, Cannabinoid receptor inverse agonist
Comment
Treatment of obesity
Target
CNR1 [HSA:1268] [KO:K04277]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    CNR1
     D09363  Otenabant hydrochloride (USAN)
Other DBs
CAS: 686347-12-6
PubChem: 96026043
ChEMBL: CHEMBL2103817
LigandBox: D09363
LinkDB
KCF data

ATOM        36
            1   X   Cl   18.0512  -18.8922
            2   C8y C     9.7412  -15.0613
            3   N4y N     9.7412  -16.4623
            4   C8y C    11.0721  -16.8825
            5   C8y C    11.9126  -15.7618
            6   N5x N    11.0721  -14.6410
            7   C8y C     8.6204  -14.2207
            8   C8y C     8.6204  -17.3028
            9   C8x C     6.1687  -12.8198
            10  C8x C     6.1687  -14.2207
            11  C8x C     7.3595  -14.9212
            12  C8y C     8.6204  -12.8198
            13  C8x C     7.3595  -12.1193
            14  X   Cl    9.8112  -12.1193
            15  C8x C     6.1687  -17.3028
            16  C8y C     6.1687  -18.7038
            17  C8x C     7.3595  -19.4043
            18  C8x C     8.6204  -18.7038
            19  C8x C     7.3595  -16.6024
            20  X   Cl    4.9779  -19.4043
            21  N5x N    11.6325  -18.1434
            22  C8x C    13.0334  -18.2835
            23  N5x N    13.8039  -17.1627
            24  C8y C    13.3136  -15.9019
            25  N1y N    14.1542  -14.7811
            26  C1x C    15.5551  -14.9212
            27  C1x C    16.3957  -13.8004
            28  C1z C    15.8353  -12.5396
            29  C1x C    14.4344  -12.3294
            30  C1x C    13.5938  -13.4502
            31  C5a C    15.2750  -11.2087
            32  N1a N    13.8740  -11.0686
            33  O5a O    16.1155  -10.1579
            34  N1b N    17.2363  -12.5396
            35  C1b C    17.9368  -13.7304
            36  C1a C    19.3377  -13.7304
BOND        39
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     9  10 2
            9    10  11 1
            10   11   7 2
            11   12  13 2
            12    9  13 1
            13    7  12 1
            14   12  14 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   18   8 1
            19   15  19 1
            20    8  19 2
            21   16  20 1
            22    4  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26    5  24 2
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   25  30 1
            34   28  31 1
            35   31  32 1
            36   31  33 2
            37   28  34 1
            38   34  35 1
            39   35  36 1

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