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Compound Detail

CHEMBL5275785

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COc1ccc2c3ccnc(Cl)c3n(CC=N)c2c1

Basic Information

ChEMBL ID CHEMBL5275785
Phase Preclinical
Structure Type MOL
InChI Key QYPINDWRCWPXLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.7
MW (Da)
3.50
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClN3O
MW 273.72
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.74 6.74 181.0 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 = 181.0 nM 6.74 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