FUTIBATINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 4B93MGE4AL

Structure

InChI Key KEIPNCCJPRMIAX-HNNXBMFYSA-N
Smiles C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1
InChI
InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N6O3
Molecular Weight 418.46
AlogP 1.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 108.39
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor inhibitor INHIBITOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 0.53-5.2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.53-152 - - -

Target Conservation

Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 1
Organism : Homo sapiens
P11362 ENSG00000077782
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 2
Organism : Homo sapiens
P21802 ENSG00000066468
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 4
Organism : Homo sapiens
P22455 ENSG00000160867
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 3
Organism : Homo sapiens
P22607 ENSG00000068078

Cross References

Resources Reference
ChEMBL CHEMBL3701238
DrugBank DB15149
FDA SRS 4B93MGE4AL
Guide to Pharmacology 9786
PDB TZ0
PubChem 71621331
SureChEMBL SCHEMBL15345470
ZINC ZINC000207800318
CONTENTS