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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