savolitinib   Click here for help

GtoPdb Ligand ID: 9918

Synonyms: AZD-6094 | AZD6094 | compound 28 [PMID: 25148209] | HMPL-504 | HMPL504 | volitinib
PDB Ligand
Compound class: Synthetic organic
Comment: Savolitinib is a potent and selective, ATP-competitive mesenchymal-epithelial transition factor (c-Met) inhibitor that was designed for anti-cancer potential [2]. In this discovery report it was called volitinib, but the designated INN is savolitinib. Research codes are HMPL-504 and AZD6094.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 91.61
Molecular weight 345.15
XLogP 2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cn1ncc(c1)c1cnc2c(n1)n(nn2)C(c1ccc2n(c1)ccn2)C
Isomeric SMILES Cn1ncc(c1)c1cnc2c(n1)n(nn2)[C@H](c1ccc2n(c1)ccn2)C
InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
InChI Key XYDNMOZJKOGZLS-NSHDSACASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
International Nonproprietary Names Click here for help
INN number INN
9935 savolitinib
Synonyms Click here for help
AZD-6094 | AZD6094 | compound 28 [PMID: 25148209] | HMPL-504 | HMPL504 | volitinib
Database Links Click here for help
BindingDB Ligand 50023342
CAS Registry No. 1313725-88-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL3334567
GtoPdb PubChem SID 363894212
PubChem CID 68289010
RCSB PDB Ligand V0L, V0L
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