fruquintinib   Click here for help

GtoPdb Ligand ID: 9428

Synonyms: Elunate® | HMPL-013 | HMPL013
Approved drug
fruquintinib is an approved drug (China (2018))
Compound class: Synthetic organic
Comment: Fruquintinib (HMPL-013) is a potent and selective inhibitor of VEGFR 1, 2, 3 tyrosine kinases, being developed for potential antineoplastic efficacy [1]; preclinical data is reported in this reference.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 95.71
Molecular weight 393.13
XLogP 2.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC
Isomeric SMILES CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC
InChI InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
InChI Key BALLNEJQLSTPIO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2018))
IUPAC Name Click here for help
6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
International Nonproprietary Names Click here for help
INN number INN
10348 fruquintinib
Synonyms Click here for help
Elunate® | HMPL-013 | HMPL013
Database Links Click here for help
CAS Registry No. 1194506-26-7 (source: WHO INN)
GtoPdb PubChem SID 328083528
PubChem CID 44480399
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