denfivontinib   Click here for help

GtoPdb Ligand ID: 8108

Synonyms: G-749 | G749
Compound class: Synthetic organic
Comment: G-749 is a novel and potent inhibitor of wild type and mutant Fms-like tyrosine receptor kinase 3 (FLT3) [1]. We matched its chemical structure to the INN 'denfivontinib' that was released in the WHO's proposed INN list 127 (21 July 2022).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 95.17
Molecular weight 520.12
XLogP 4.87
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O
Isomeric SMILES CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O
InChI InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
12211 denfivontinib
Synonyms Click here for help
G-749 | G749
Database Links Click here for help
CAS Registry No. 1457983-28-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL4544478
GtoPdb PubChem SID 249565788
PubChem CID 78357765
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UniChem Compound Search for chemical match using the InChIKey SXWMIXPJPNCXQQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SXWMIXPJPNCXQQ-UHFFFAOYSA-N