CLASCOTERONE

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Synonyms
Status
Molecule Category Free-form
UNII XN7MM8XG2M
EPA CompTox DTXSID10471883

Structure

InChI Key GPNHMOZDMYNCPO-PDUMRIMRSA-N
Smiles 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

Mechanism of Action Action Reference
Androgen Receptor antagonist 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
- 50 - 40 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 50 - 40 -
Mesocricetus auratus
- - - - 40-84

Target Conservation

Protein: Androgen Receptor
Description: Androgen receptor
Organism : Homo sapiens
P10275 ENSG00000169083

Related Entries

Cross References

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