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Compound Detail

CHEMBL5276049

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COC(=O)c1ccc2c(c1)[nH]c1c(C)nccc12

Basic Information

ChEMBL ID CHEMBL5276049
Phase Preclinical
Structure Type MOL
InChI Key RBLWSDAIDNNWGE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.81
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O2
MW 240.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 4.57 4.57 27000.0 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 = 27000.0 nM 4.57 Inhibition of DYRK1A (unknown origin) 33528252

Literature References

PubMed DOI Target Context # Activities
33528252 10.1021/acs.jmedchem.0c01887 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine