KEGG   COMPOUND: C14319
Entry
C14319                      Compound                               

Name
SR 141716;
Rimonabant
Formula
C22H21Cl3N4O
Exact mass
462.0781
Mol weight
463.7873
Structure
Remark
Same as: D05731
Pathway
map07112  1,2-Diphenyl substitution family
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: other receptors
   Cannabinoid
    cannabinoid receptor 1
     C14319  SR 141716
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)
Other DBs
CAS: 168273-06-1
PubChem: 17395319
ChEBI: 34967
ChEMBL: CHEMBL111
PDB-CCD: AY6[PDBj]
NIKKAJI: J649.754C
KCF data

ATOM        30
            1   N4y N    23.9656  -18.2516
            2   C8y C    23.9656  -19.6487
            3   C8y C    25.2928  -20.0679
            4   C8y C    26.1311  -18.9502
            5   N5x N    25.2928  -17.8324
            6   C8y C    22.8479  -20.4870
            7   C8y C    22.8479  -17.4133
            8   C8y C    20.4029  -16.0161
            9   C8x C    20.4029  -17.4133
            10  C8x C    21.5905  -18.1119
            11  C8y C    22.8479  -16.0161
            12  C8x C    21.5905  -15.3176
            13  C8x C    20.4029  -20.4870
            14  C8y C    20.4029  -21.8841
            15  C8x C    21.5905  -22.5827
            16  C8x C    22.8479  -21.8841
            17  C8x C    21.5905  -19.7884
            18  X   Cl   24.0519  -15.3077
            19  X   Cl   19.1900  -15.3225
            20  X   Cl   19.1900  -22.5778
            21  C1a C    25.7200  -21.3980
            22  C5a C    27.5282  -18.9502
            23  O5a O    28.2268  -20.1600
            24  N1b N    28.2268  -17.7402
            25  N1y N    29.6385  -17.7403
            26  C1x C    30.3335  -18.9442
            27  C1x C    31.7349  -18.9442
            28  C1x C    32.4356  -17.7306
            29  C1x C    31.7407  -16.5268
            30  C1x C    30.3393  -16.5267
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

» Japanese version

  All links  
Ontology (1)   
   KEGG BRITE (1)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DRUG (1)   
   CHEMBL (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (9)   

Download RDF
DBGET integrated database retrieval system