PYRAZOLOPYRIMIDINE 1

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII SA2ND7EHY4
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 QNUBZASKWDMCAQ-PNQUVVCRSA-N
Smiles CN(C)CCNC(=O)c1ccc(\C=N\Nc2ncnc3c2cnn3c4cccc5[nH]cnc45)cc1
InChI
InChI=1S/C24H24N10O/c1-33(2)11-10-25-24(35)17-8-6-16(7-9-17)12-30-32-22-18-13-31-34(23(18)29-15-28-22)20-5-3-4-19-21(20)27-14-26-19/h3-9,12-15H,10-11H2,1-2H3,(H,25,35)(H,26,27)(H,28,29,32)/b30-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24N10O
Molecular Weight 468.51
AlogP 2.7
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 129.01
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 35.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 1.58 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.58 - - -

Cross References

Resources Reference
ChEMBL CHEMBL304533
FDA SRS SA2ND7EHY4
PubChem 44307734
CONTENTS