CYPROTERONE ACETATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
UNII: 4KM2BN5JHF

Structure
InChI Key UWFYSQMTEOIJJG-FDTZYFLXSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 60.44
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Androgen Receptor antagonist
Primary Target
Androgen receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.7101
Enzyme Transferase
- - - - 11.29-17.15
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -5.09-8.58
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 2183 - 886 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 5-125 - 0.76-1.3 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 225 - 102 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 37 - 4.842 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
4000 47-18000 - 14 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103.18

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Prostatic Neoplasms 3 D011471 ClinicalTrials
Endometriosis 3 D004715 ClinicalTrials
Acne Vulgaris 3 D000152 ClinicalTrials
Hot Flashes 3 D019584 ClinicalTrials
Menopause 2 D008593 ClinicalTrials
Polycystic Ovary Syndrome 2 D011085 ClinicalTrials
Hyperplasia 1 D006965 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 427-51-0
ChEBI 50743
ChEMBL CHEMBL139835
DrugBank DB04839
DrugCentral 766
EPA CompTox DTXSID5020366
FDA SRS 4KM2BN5JHF
Guide to Pharmacology 2865
PDB CA4
PubChem 9880
SureChEMBL SCHEMBL5936
ZINC ZINC000003814423
CONTENTS