Synonyms
Status
Molecule Category Free-form
ATC L02BX03
UNII G819A456D0
EPA CompTox DTXSID80879993

Structure

InChI Key GZOSMCIZMLWJML-VJLLXTKPSA-N
Smiles C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
InChI
InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31NO
Molecular Weight 349.52
AlogP 5.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 33.12
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Target Conservation

Protein: Cytochrome P450 17A1

Description: Steroid 17-alpha-hydroxylase/17,20 lyase

Organism : Homo sapiens

P05093 ENSG00000148795
Protein: Androgen Receptor

Description: Androgen receptor

Organism : Homo sapiens

P10275 ENSG00000169083

Cross References

Resources Reference
ChEBI 68642
ChEMBL CHEMBL254328
DrugBank DB05812
FDA SRS G819A456D0
Guide to Pharmacology 6745
PDB AER
PharmGKB PA166123407
PubChem 132971
SureChEMBL SCHEMBL61108
ZINC ZINC000003797541