CLASCOTERONE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XN7MM8XG2M

Structure
InChI Key GPNHMOZDMYNCPO-PDUMRIMRSA-N
Smile CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H34O5
Molecular Weight 402.53
AlogP 3.77
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 80.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Androgen Receptor antagonist PubMed Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 3 D000152 ClinicalTrials
Alopecia 2 D000505 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3590187
DrugBank DB12499
EPA CompTox DTXSID10471883
FDA SRS XN7MM8XG2M
Guide to Pharmacology 11215
PubChem 11750009
SureChEMBL SCHEMBL1231152
ZINC ZINC000006716459
CONTENTS