KEGG   DRUG: CioteronelHelp
Entry
D03515                      Drug                                   

Name
Cioteronel (USAN/INN)
Formula
C16H28O2
Exact mass
252.2089
Mol weight
252.3923
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
Efficacy
Antineoplastic
Comment
Anti-androgen
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)
     D03515  Cioteronel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 89672-11-7
PubChem: 17397649
ChEMBL: CHEMBL2104105
LigandBox: D03515
NIKKAJI: J408.683J J561.989K
KCF data Show

ATOM        18
            1   C5x C    19.4274  -19.4359
            2   C1x C    20.7569  -19.8743
            3   C1y C    21.5848  -18.7454
            4   C1y C    20.7670  -17.6092
            5   C1x C    19.4337  -18.0359
            6   C1y C    22.9159  -18.3160
            7   C1x C    22.9242  -16.9187
            8   C1x C    21.5947  -16.4802
            9   O5x O    18.2913  -20.2537
            10  C1b C    24.0943  -19.0169
            11  C1b C    25.3273  -18.3262
            12  C1b C    26.5351  -19.0447
            13  C1b C    27.7510  -18.3635
            14  C1c C    28.9673  -19.0867
            15  C1b C    30.1787  -18.4079
            16  O2a O    28.9493  -20.4926
            17  C1a C    30.1438  -21.2032
            18  C1a C    31.3976  -19.1323
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 1
            7     6   7 1
            8     7   8 1
            9     4   8 1
            10    1   9 2
            11    6  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   16  17 1
            19   15  18 1

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