savolitinib   Click here for help

GtoPdb Ligand ID: 9918

Synonyms: AZD-6094 | AZD6094 | compound 28 [PMID: 25148209] | HMPL-504 | HMPL504 | Orpathys® | volitinib
Approved drug PDB Ligand
savolitinib is an approved drug (China (2021))
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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2021))
IUPAC Name Click here for help
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 | Orpathys® | 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
Search Google for chemical match using the InChIKey XYDNMOZJKOGZLS-NSHDSACASA-N
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UniChem Compound Search for chemical match using the InChIKey XYDNMOZJKOGZLS-NSHDSACASA-N
UniChem Connectivity Search for chemical match using the InChIKey XYDNMOZJKOGZLS-NSHDSACASA-N