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Compound Detail

CHEMBL513265

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COc1c(O)cc2c3c1-c1ccccc1CC3NC2=O

Basic Information

ChEMBL ID CHEMBL513265
Phase Preclinical
Structure Type MOL
InChI Key GZIYWFFLHNNYCO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
2.41
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO3
MW 267.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.56

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 7.1 7.1 80.0 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 = 80.0 nM 7.1 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