Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3OKI556HC2

Structure

InChI Key WXCXUHSOUPDCQV-HPRDVNIFSA-N
Smile [2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F
InChI
InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)/i3D3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16F4N4O2S
Molecular Weight 467.46
AlogP 3.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 76.44
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594421
FDA SRS 3OKI556HC2
PubChem 71580408
SureChEMBL SCHEMBL18789402