Synonyms
Status
Molecule Category Free-form
UNII 127DSS8X7J
EPA CompTox DTXSID80677133

Structure

InChI Key JMEYDSHPKCSIJC-UHFFFAOYSA-N
Smiles CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1
InChI
InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32F3N7O2
Molecular Weight 519.57
AlogP 2.83
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 5.0
Polar Surface Area 79.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor modulator MODULATOR PubMed PubMed

Target Conservation

Protein: Androgen Receptor

Description: Androgen receptor

Organism : Homo sapiens

P10275 ENSG00000169083

Cross References

Resources Reference
ChEMBL CHEMBL2346976
FDA SRS 127DSS8X7J
SureChEMBL SCHEMBL3056463
ZINC ZINC000101673084