G749   Click here for help

GtoPdb Ligand ID: 8108

Synonyms: G-749
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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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)
InChI Key SXWMIXPJPNCXQQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
Synonyms Click here for help
G-749
Database Links Click here for help
CAS Registry No. 1457983-28-6
GtoPdb PubChem SID 249565788
PubChem CID 78357765
Search Google for chemical match using the InChIKey SXWMIXPJPNCXQQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SXWMIXPJPNCXQQ
UniChem Compound Search for chemical match using the InChIKey SXWMIXPJPNCXQQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SXWMIXPJPNCXQQ-UHFFFAOYSA-N