quizartinib   Click here for help

GtoPdb Ligand ID: 5658

Synonyms: AC 010220 | AC 220 | AC220 | Vanflyta®
Approved drug PDB Ligand
quizartinib is an approved drug (Japan (2019), FDA (2023))
Compound class: Synthetic organic
Comment: Quizartinib (AC220) is an inhibitor of class III receptor tyrosine kinases (FLT3, CSF1 receptor, KIT, PDGF receptors). It was developed to treat oncogenic FLT3 activation in acute myeloid leukemia. It is compound 7 in [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 134.4
Molecular weight 560.22
XLogP 4.14
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1
Isomeric SMILES O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1
InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (2019), FDA (2023))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9356 quizartinib
Synonyms Click here for help
AC 010220 | AC 220 | AC220 | Vanflyta®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9674318
Reactome Reaction Reactome logo R-HSA-9702510, R-HSA-9695831, R-HSA-9702618
Other databases
CAS Registry No. 950769-58-1
ChEMBL Ligand CHEMBL576982
DrugCentral Ligand 5341
GtoPdb PubChem SID 178102286
PubChem CID 24889392
RCSB PDB Ligand P30
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Quizartinib (links to external site)
Cat. No. 6788