KEGG   DRUG: BenorteroneHelp
Entry
D03079                      Drug                                   

Name
Benorterone (USAN/INN)
Formula
C19H28O2
Exact mass
288.2089
Mol weight
288.4244
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01623  Steroid-type antiandrogen
Efficacy
Androgen receptor antagonist
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D03079  Benorterone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 3570-10-3
PubChem: 17397234
ChEMBL: CHEMBL2103992
LigandBox: D03079
NIKKAJI: J8.160D
KCF data Show

ATOM        21
            1   C1x C    14.4200  -12.8100
            2   C5x C    14.4200  -14.2100
            3   C2x C    15.6324  -14.9100
            4   C2y C    16.8449  -14.2100
            5   C1z C    16.8449  -12.8100
            6   C1x C    15.6324  -12.1100
            7   C1x C    19.2697  -14.2100
            8   C1y C    19.2697  -12.8100
            9   C1y C    18.0573  -12.1100
            10  C1y C    20.4822  -12.1100
            11  C1z C    20.4822  -10.7100
            12  C1x C    19.2697  -10.0100
            13  C1x C    18.0573  -10.7100
            14  C1x C    22.9070  -12.1100
            15  C1x C    22.9070  -10.7100
            16  C1z C    21.6946  -10.0100
            17  O5x O    13.2076  -14.9100
            18  C1a C    16.8449  -11.4100
            19  C1a C    20.4822   -9.3100
            20  O1a O    21.6946   -8.1900
            21  C1a C    22.9070   -9.3100
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   11  16 1
            20    2  17 2
            21    5  18 1 #Up
            22   11  19 1 #Up
            23   16  20 1 #Up
            24   16  21 1 #Down

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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (3)   
   KEGG DGROUP (1)   
   CHEMBL (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (8)   

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