ENMD-981693

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Synonyms
Status
Molecule Category Free-form
UNII DNZ11VPY7Q
EPA CompTox DTXSID60154735

Structure

InChI Key OVSKGTONMLKNPZ-UHFFFAOYSA-N
Smiles Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21
InChI
InChI=1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H16N4O4
Molecular Weight 400.39
AlogP 3.15
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 99.17
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor inhibitor INHIBITOR Other

Target Conservation

Protein: Serine/threonine-protein kinase Aurora-A
Description: Aurora kinase A
Organism : Homo sapiens
O14965 ENSG00000087586
Protein: Platelet-derived growth factor receptor
Description: Platelet-derived growth factor receptor beta
Organism : Homo sapiens
P09619 ENSG00000113721
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 1
Organism : Homo sapiens
P11362 ENSG00000077782
Protein: Platelet-derived growth factor receptor
Description: Platelet-derived growth factor receptor alpha
Organism : Homo sapiens
P16234 ENSG00000134853
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
Protein: Vascular endothelial growth factor receptor 2
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052
Protein: Tyrosine-protein kinase receptor FLT3
Description: Receptor-type tyrosine-protein kinase FLT3
Organism : Homo sapiens
P36888 ENSG00000122025

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL52885
DrugBank DB05608
FDA SRS DNZ11VPY7Q
PubChem 16041424
SureChEMBL SCHEMBL608128
ZINC ZINC000000602485
CONTENTS