KEGG   DRUG: Ancriviroc
Entry
D03210                      Drug                                   
Name
Ancriviroc (USAN/INN)
Formula
C28H37BrN4O3
Exact mass
556.2049
Mol weight
557.5224
Structure
Efficacy
Antiviral, CCR5 antagonist
Comment
Treatment of autoimmune conditions
Target
CCR5 (CD195) [HSA:1234] [KO:K04180]
  Pathway
hsa03250  Viral life cycle - HIV-1
hsa04060  Cytokine-cytokine receptor interaction
hsa04061  Viral protein interaction with cytokine and cytokine receptor
hsa04062  Chemokine signaling pathway
hsa04144  Endocytosis
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Cytokine receptors
   Chemokine receptors
    CCR5 (CD195)
     D03210  Ancriviroc (USAN/INN)
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   CCR5 antagonist
    D03210  Ancriviroc (USAN/INN)
Other DBs
CAS: 370893-06-4
PubChem: 17397364
ChEBI: 177442
NIKKAJI: J1.655.006J
KCF data

ATOM        36
            1   C8x C    32.9700  -20.0900
            2   C8x C    32.9700  -18.6900
            3   C8y C    34.2300  -17.9900
            4   C8y C    35.4200  -18.6900
            5   C8y C    35.4200  -20.0900
            6   N4y N    34.2300  -20.7900
            7   C5a C    36.6100  -17.9900
            8   N1y N    37.8700  -18.6900
            9   C1x C    37.8700  -20.0900
            10  C1a C    36.6100  -20.7900
            11  C1x C    39.0600  -17.9900
            12  C1x C    40.2500  -18.6900
            13  C1z C    40.2500  -20.0900
            14  C1x C    39.0600  -20.7900
            15  O3a O    34.2300  -22.1900
            16  O5a O    36.6100  -16.5900
            17  C1a C    34.2300  -16.5900
            18  N1y N    41.5100  -20.7900
            19  C1x C    42.7000  -20.0900
            20  C1x C    43.8900  -20.7900
            21  C1y C    43.8900  -22.1900
            22  C1x C    42.7000  -22.8900
            23  C1x C    41.5100  -22.1900
            24  C2c C    45.1500  -22.8900
            25  C8y C    46.3400  -22.1900
            26  N2b N    45.1500  -24.2900
            27  O2a O    46.3400  -24.9900
            28  C8x C    46.3400  -20.7900
            29  C8x C    47.5300  -20.0900
            30  C8y C    48.7900  -20.7900
            31  C8x C    48.7900  -22.1900
            32  C8x C    47.5300  -22.8900
            33  X   Br   49.9800  -20.0900
            34  C1a C    41.5100  -19.3900
            35  C1b C    47.5300  -24.2900
            36  C1a C    48.7200  -24.9900
BOND        39
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16    6  15 2
            17    7  16 2
            18    3  17 1
            19   13  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   21  24 1
            27   24  25 1
            28   24  26 2
            29   26  27 1
            30   25  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   25  32 1
            36   30  33 1
            37   13  34 1
            38   27  35 1
            39   35  36 1

» Japanese version   » Back

  All links  
Ontology (2)   
   KEGG BRITE (2)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (7)   

Download RDF
DBGET integrated database retrieval system