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Compound Detail

CHEMBL5272802

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NCn1c(-c2nonc2N)nc2cnccc21

Basic Information

ChEMBL ID CHEMBL5272802
Phase Preclinical
Structure Type MOL
InChI Key FAWUVVKQRJHKOZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
-0.02
ALogP
8
HBA
2
HBD
121.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9N7O
MW 231.22
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 110.0 nM 6.96 Inhibition of DYRK1A (unknown origin) 30243157

Literature References

PubMed DOI Target Context # Activities
30243157 10.1016/j.ejmech.2018.08.093 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine