KEGG   DRUG: RimonabantHelp
Entry
D05731                      Drug                                   

Name
Rimonabant (JAN/USAN/INN);
Acomplia (TN)
Formula
C22H21Cl3N4O
Exact mass
462.0781
Mol weight
463.7873
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01706  Antiobesity
  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
Drug 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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    CNR1
     D05731  Rimonabant (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 168273-06-1
PubChem: 47207392
ChEBI: 34967
ChEMBL: CHEMBL111
DrugBank: DB06155
LigandBox: D05731
NIKKAJI: J649.754C
LinkDB All DBs
KCF data Show

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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