Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8LAP87DNSZ

Structure

InChI Key BOIPLTNGIAPDBY-UHFFFAOYSA-N
Smile N#CN/C(=N\CCCCCCOc1ccc(Cl)cc1)Nc1ccncc1
InChI
InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22ClN5O
Molecular Weight 371.87
AlogP 4.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 82.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEBI 95016
ChEMBL CHEMBL17289
DrugBank DB12980
FDA SRS 8LAP87DNSZ
PDB 2QG
PubChem 148198
SureChEMBL SCHEMBL504150
ZINC ZINC000013282570