KEGG   DRUG: TopteroneHelp
Entry
D06191                      Drug                                   

Name
Topterone (USAN/INN)
Formula
C22H34O2
Exact mass
330.2559
Mol weight
330.5042
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01623  Steroid-type antiandrogen
Efficacy
Antiandrogen, 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)
     D06191  Topterone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 60607-35-4
PubChem: 47207849
ChEMBL: CHEMBL2107659
LigandBox: D06191
NIKKAJI: J18.529I
KCF data Show

ATOM        24
            1   C1x C    11.9000  -19.3200
            2   C5x C    11.9000  -20.7200
            3   C2x C    13.1124  -21.4200
            4   C2y C    14.3249  -20.7200
            5   C1z C    14.3249  -19.3200
            6   C1x C    13.1124  -18.6200
            7   C1x C    15.5373  -21.4200
            8   C1x C    16.7497  -20.7200
            9   C1y C    16.7497  -19.3200
            10  C1y C    15.5373  -18.6200
            11  C1y C    17.9622  -18.6200
            12  C1z C    17.9622  -17.2200
            13  C1x C    16.7497  -16.5200
            14  C1x C    15.5373  -17.2200
            15  C1x C    20.3870  -18.6200
            16  C1x C    20.3870  -17.2200
            17  C1z C    19.1746  -16.5200
            18  O5x O    10.6876  -21.4200
            19  C1a C    14.3249  -17.9200
            20  C1a C    17.9622  -15.8200
            21  O1a O    19.1746  -14.7000
            22  C1b C    20.3870  -15.8200
            23  C1b C    21.5866  -16.5127
            24  C1a C    22.7759  -15.8260
BOND        27
            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    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   12  20 1 #Up
            24   17  21 1 #Up
            25   17  22 1 #Down
            26   22  23 1
            27   23  24 1

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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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