KEGG   DRUG: Rimonabant
Entry
D05731                      Drug                                   
Name
Rimonabant (JAN/USAN/INN);
Acomplia (TN)
Formula
C22H21Cl3N4O
Exact mass
462.0781
Mol weight
463.7873
Structure
Simcomp
Class
Gastrointestinal agent
 DG01705  Anoretic
  DG01754  Cannabinoid receptor inverse agonist
Remark
Same as: C14319
ATC code: A08AX01
Efficacy
Antiobesity, Smoking cessation adjunct, Cannabinoid receptor inverse agonist
Comment
Treatment of obesity
Target
CNR1 [HSA:1268] [KO:K04277]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04723  Retrograde endocannabinoid signaling
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A08 ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
   A08A ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
    A08AX Other antiobesity drugs
     A08AX01 Rimonabant
      D05731  Rimonabant (JAN/USAN/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01705  Anoretic
   DG01754  Cannabinoid receptor inverse agonist
    D05731  Rimonabant
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    CNR1
     D05731  Rimonabant (JAN/USAN/INN)
Other DBs
CAS: 168273-06-1
PubChem: 47207392
ChEBI: 34967
PDB-CCD: AY6[PDBj]
LigandBox: D05731
NIKKAJI: J649.754C
KCF data

ATOM        30
            1   N4y N    23.9424  -18.3039
            2   C8y C    23.9424  -19.6996
            3   C8y C    25.2684  -20.1184
            4   C8y C    26.1058  -19.0018
            5   N5x N    25.2684  -17.8851
            6   C8y C    22.8258  -20.5371
            7   C8y C    22.8258  -17.4664
            8   C8y C    20.3832  -16.0706
            9   C8x C    20.3832  -17.4664
            10  C8x C    21.5696  -18.1643
            11  C8y C    22.8258  -16.0706
            12  C8x C    21.5696  -15.3727
            13  C8x C    20.3832  -20.5371
            14  C8y C    20.3832  -21.9329
            15  C8x C    21.5696  -22.6308
            16  C8x C    22.8258  -21.9329
            17  C8x C    21.5696  -19.8392
            18  X   Cl   24.0287  -15.3628
            19  X   Cl   19.1715  -15.3776
            20  X   Cl   19.1715  -22.6259
            21  C1a C    25.6951  -21.4473
            22  C5a C    27.5016  -19.0018
            23  O5a O    28.1995  -20.2105
            24  N1b N    28.1995  -17.7930
            25  N1y N    29.6099  -17.7931
            26  C1x C    30.3042  -18.9958
            27  C1x C    31.7042  -18.9958
            28  C1x C    32.4043  -17.7834
            29  C1x C    31.7100  -16.5808
            30  C1x C    30.3100  -16.5807
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     2   6 1
            7     1   7 1
            8     8   9 2
            9     9  10 1
            10   10   7 2
            11    7  11 1
            12   11  12 2
            13    8  12 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16   6 1
            18    6  17 2
            19   13  17 1
            20   11  18 1
            21    8  19 1
            22   14  20 1
            23    3  21 1
            24    4  22 1
            25   22  23 2
            26   22  24 1
            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

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (13)   

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