Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UP0K5026VB

Structure

InChI Key ZVIFCOOHWGNPHJ-UHFFFAOYSA-N
Smile Cc1ccncc1N1CCN(c2ccnc(Cl)c2)C1=O
InChI
InChI=1S/C14H13ClN4O/c1-10-2-4-16-9-12(10)19-7-6-18(14(19)20)11-3-5-17-13(15)8-11/h2-5,8-9H,6-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13ClN4O
Molecular Weight 288.74
AlogP 2.89
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 49.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 1 D011471 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297485
FDA SRS UP0K5026VB
PubChem 49871869
SureChEMBL SCHEMBL3780132
ZINC ZINC000147967931