flumbatinib   Click here for help

GtoPdb Ligand ID: 9913

Synonyms: flumatinib (pseudo INN) | Hansoh Xinfu® | HH-GV678 | HHGV-678
Approved drug
flumbatinib is an approved drug (China (2019))
Compound class: Synthetic organic
Comment: Flumatinib (HH-GV-678) is a selective, orally bioavailable inhibitor of Bcr-Abl that was developed for antineoplastic potential [1].
The INN 'flumatinib' was surfaced in WHO Proposed list 125 in July 2021.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 99.17
Molecular weight 562.24
XLogP 2.8
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C
Isomeric SMILES CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C
InChI InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2019))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11831 flumbatinib
Synonyms Click here for help
flumatinib (pseudo INN) | Hansoh Xinfu® | HH-GV678 | HHGV-678
Database Links Click here for help
CAS Registry No. 895519-90-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL3545413
GtoPdb PubChem SID 363894207
PubChem CID 46848036
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