3-PHENYL-6-(1H-PYRROL-2-YL)IMIDAZO[1,2-A]PYRAZINE

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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 UYWWZODCUSVQOU-UHFFFAOYSA-N
Smiles c1ccc(cc1)c2cnc3cnc(cn23)c4ccc[nH]4
InChI
InChI=1S/C16H12N4/c1-2-5-12(6-3-1)15-9-19-16-10-18-14(11-20(15)16)13-7-4-8-17-13/h1-11,17H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12N4
Molecular Weight 260.29
AlogP 2.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 45.98
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 20.0

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
- 10000000 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 10000000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1170533
PubChem 49797841
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