1-(4-(3-AMINO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)PHENYL)-3-(3,5-DIFLUOROPHENYL)UREA

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key MTKFUVIQMSFJNU-UHFFFAOYSA-N
Smiles Nc1n[nH]c2nccc(c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c12
InChI
InChI=1S/C19H14F2N6O/c20-11-7-12(21)9-14(8-11)25-19(28)24-13-3-1-10(2-4-13)15-5-6-23-18-16(15)17(22)26-27-18/h1-9H,(H2,24,25,28)(H3,22,23,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14F2N6O
Molecular Weight 380.35
AlogP 2.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 108.72
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 6.3-8.1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6.3-8.1 - - -

Cross References

Resources Reference
ChEMBL CHEMBL258141
PubChem 11509160
SureChEMBL SCHEMBL1702906
ZINC ZINC29129480
CONTENTS