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Compound Detail

CHEMBL5267794

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COc1cc2c3c(c1OC)-c1ccccc1C(=O)C3NCC2

Basic Information

ChEMBL ID CHEMBL5267794
Phase Preclinical
Structure Type MOL
InChI Key HCSTWHOCFCLOMD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
2.75
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO3
MW 295.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.86

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 5.62 5.62 2400.0 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 = 2400.0 nM 5.62 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