FGFR INHIBITOR DEBIO 1347

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Synonyms
Status
Molecule Category Free-form
UNII NR9ZYH80Z8

Structure

InChI Key BEMNJULZEQTDJY-UHFFFAOYSA-N
Smiles Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1
InChI
InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16N6O
Molecular Weight 356.39
AlogP 3.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 105.38
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor 1 inhibitor INHIBITOR PubMed ClinicalTrials
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 7.6-290 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 69
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 7.6-290 - - 69

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL3907479
DrugBank DB12903
FDA SRS NR9ZYH80Z8
Guide to Pharmacology 9787
PDB LWJ
SureChEMBL SCHEMBL10002991
ZINC ZINC000098209140
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