KEGG   DRUG: Taranabant
Entry
D09009                      Drug                                   

Name
Taranabant (USAN/INN)
Formula
C27H25ClF3N3O2
Exact mass
515.1587
Mol weight
515.9545
Structure
Class
Other
 DG01706  Antiobesity
  DG01705  Anoretic
   DG01754  Cannabinoid receptor inverse agonist
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
     D09009  Taranabant (USAN/INN)
Other DBs
CAS: 701977-09-5
PubChem: 96025692
ChEMBL: CHEMBL220360
PDB-CCD: 7DY[PDBj]
LigandBox: D09009
LinkDB
KCF data

ATOM        36
            1   C8y C    24.0591  -12.3529
            2   C8x C    24.0591  -13.7563
            3   C8y C    25.2744  -14.4580
            4   C8x C    26.4899  -13.7563
            5   C8x C    26.4899  -12.3529
            6   C8x C    25.2744  -11.6512
            7   C1c C    25.2744  -15.8612
            8   C1c C    24.0422  -16.5729
            9   C1b C    26.4729  -16.5533
            10  C8y C    27.6630  -15.8662
            11  C8x C    28.8573  -16.5559
            12  C8x C    30.0727  -15.8543
            13  C8y C    30.0728  -14.4509
            14  C8x C    28.8785  -13.7613
            15  C8x C    27.6631  -14.4628
            16  N1b N    22.8353  -15.8761
            17  C5a C    21.6495  -16.5608
            18  C1a C    24.0424  -17.9664
            19  C1d C    20.4530  -15.8700
            20  O5a O    21.6494  -17.9663
            21  O2a O    19.2376  -15.1683
            22  C1a C    21.1650  -14.6364
            23  C1a C    19.7622  -17.0672
            24  C8y C    18.0109  -15.8768
            25  N5x N    16.7992  -15.1773
            26  C8x C    15.5839  -15.8790
            27  C8y C    15.5840  -17.2824
            28  C8x C    16.7957  -17.9820
            29  C8x C    18.0110  -17.2802
            30  C1d C    14.3685  -17.9841
            31  X   F    13.1532  -18.6858
            32  X   F    15.1411  -19.1428
            33  X   F    13.5841  -16.8076
            34  C3b C    22.8437  -11.6512
            35  X   Cl   31.3006  -13.7419
            36  N3a N    21.6283  -10.9495
BOND        38
            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   3 1 #Down
            8     7   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    8  16 1
            18   16  17 1
            19    8  18 1 #Down
            20   17  19 1
            21   17  20 2
            22   19  21 1
            23   19  22 1
            24   19  23 1
            25   21  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   27  30 1
            33   30  31 1
            34   30  32 1
            35   30  33 1
            36    1  34 1
            37   13  35 1
            38   34  36 3

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