vilzemetkib   Click here for help

GtoPdb Ligand ID: 13220

Synonyms: Example 6 [US20120123126] [1]
Compound class: Synthetic organic
Comment: The chemical structure for vilzemetkib was obtained from proposed INN list 130 (Feb. 2024), in which the compound is described as an hepatocyte growth factor receptor (c-Met) inhibitor with proposed antineoplastic action. The structure is claimed in patents including some filed by Advenchen laboratories and the Chia Tai Tianqing Pharmaceutical Group. It is likely that vilzemetkib is Advenchen's lead oral c-Met inhibitor AL2846.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 110.28
Molecular weight 642.69
XLogP 4.14
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES COC1=CC2=C(C=C1OCC3(CC3)NC4CCCC4)N=CC=C2OC5=CC=C(C=C5F)NC(=O)C6(CC6)C(=O)NC7=CC=C(C=C7)F
Isomeric SMILES COC1=C(OCC2(CC2)NC3CCCC3)C=C4N=CC=C(OC5=C(F)C=C(NC(=O)C6(CC6)C(=O)NC7=CC=C(F)C=C7)C=C5)C4=C1
InChI InChI=1S/C36H36F2N4O5/c1-45-31-19-26-28(20-32(31)46-21-35(13-14-35)42-24-4-2-3-5-24)39-17-12-29(26)47-30-11-10-25(18-27(30)38)41-34(44)36(15-16-36)33(43)40-23-8-6-22(37)7-9-23/h6-12,17-20,24,42H,2-5,13-16,21H2,1H3,(H,40,43)(H,41,44)
InChI Key IXDALXNUFGTEMF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-N'-[4-[7-[[1-(cyclopentylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
International Nonproprietary Names Click here for help
INN number INN
12935 vilzemetkib
Synonyms Click here for help
Example 6 [US20120123126] [1]
Database Links Click here for help
CAS Registry No. 1363402-44-1 (source: WHO INN record)
GtoPdb PubChem SID 491300002
PubChem CID 56933304
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