fruquintinib   Click here for help

GtoPdb Ligand ID: 9428

Synonyms: Elunate® | Fruzaqla® | HMPL-013 | HMPL013
Approved drug
fruquintinib is an approved drug (China (2018), FDA (2023))
Compound class: Synthetic organic
Comment: Fruquintinib (HMPL-013) is a potent and selective inhibitor of VEGFR 1-3 tyrosine kinases, that was developed for antineoplastic activity [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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2018), FDA (2023))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10348 fruquintinib
Synonyms Click here for help
Elunate® | Fruzaqla® | 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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