Structure

InChI Key UWFYSQMTEOIJJG-FDTZYFLXSA-N
Smiles CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29ClO4
Molecular Weight 416.95
AlogP 4.61
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 60.44
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 103.18
Homo sapiens
- 258.6 - - -
Mesocricetus auratus
- - - - 93
Rattus norvegicus
- 5-630.96 - - 73-90

Target Conservation

Protein: Glucocorticoid receptor

Description: Glucocorticoid receptor

Organism : Homo sapiens

P04150 ENSG00000113580
Protein: Progesterone receptor

Description: Progesterone receptor

Organism : Homo sapiens

P06401 ENSG00000082175
Protein: Androgen Receptor

Description: Androgen receptor

Organism : Homo sapiens

P10275 ENSG00000169083

Cross References

Resources Reference
ChEBI 50743
ChEMBL CHEMBL139835
DrugBank DB04839
DrugCentral 766
FDA SRS 4KM2BN5JHF
Guide to Pharmacology 2865
PDB CA4
PubChem 9880
SureChEMBL SCHEMBL5936
ZINC ZINC000003814423