Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2WZP8A9VFN

Structure

InChI Key QHXLXUIZUCJRKV-UHFFFAOYSA-N
Smile Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1
InChI
InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H15F3N8
Molecular Weight 424.39
AlogP 3.49
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 78.72
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650443
DrugBank DB16823
FDA SRS 2WZP8A9VFN
PubChem 72202701
SureChEMBL SCHEMBL15594471