(3-(3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZIN-6-YL)PHENYL)METHANAMINE

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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 KUMOGNIMCIGNHF-UHFFFAOYSA-N
Smiles NCc1cccc(c1)c2cn3c(cnc3cn2)c4cn[nH]c4
InChI
InChI=1S/C16H14N6/c17-5-11-2-1-3-12(4-11)14-10-22-15(13-6-20-21-7-13)8-19-16(22)9-18-14/h1-4,6-10H,5,17H2,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14N6
Molecular Weight 290.32
AlogP 0.86
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 84.89
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- 288403150.31 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 288403150.31 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1169754
PubChem 49797812
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