AZD3514

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 127DSS8X7J

Structure
InChI Key JMEYDSHPKCSIJC-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 79.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Androgen Receptor modulator PubMed PubMed
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
- 1778-1780 - 2200-5000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2346976
EPA CompTox DTXSID80677133
FDA SRS 127DSS8X7J
SureChEMBL SCHEMBL3056463
ZINC ZINC000101673084
CONTENTS