vebreltinib   Click here for help

GtoPdb Ligand ID: 11677

Synonyms: APL-101 | bozitinib | PLB1001
Compound class: Synthetic organic
Comment: We obtained the chemical structure for vebreltinib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 72202701. Synonyms for vebreltinib (from PubChem) include APL-101 and PLB-1001 [1]. Vebreltinib is an oral, ATP-competitive MET kinase inhibitor that is active against MET-altered tumour cells in preclinical models. It can cross the blood-brain barrier.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 78.72
Molecular weight 424.14
XLogP 5.93
No. Lipinski's rules broken 1
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Canonical SMILES Cn1nc2c(c1)cc(c(c2)F)C(c1nnc2n1nc(cc2)c1cnn(c1)C1CC1)(F)F
Isomeric SMILES Cn1cc2cc(c(cc2n1)F)C(c1nnc2n1nc(cc2)c1cn(nc1)C1CC1)(F)F
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11677 vebreltinib
Synonyms Click here for help
APL-101 | bozitinib | PLB1001
Database Links Click here for help
BindingDB Ligand 107096
CAS Registry No. 1440964-89-5 (source: WHO INN record)
GtoPdb PubChem SID 442878703
PubChem CID 72202701
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UniChem Compound Search for chemical match using the InChIKey QHXLXUIZUCJRKV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QHXLXUIZUCJRKV-UHFFFAOYSA-N