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Compound Detail

CHEMBL5275342

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Oc1ccc2c(c1)oc1c3ccccc3c(O)cc21

Basic Information

ChEMBL ID CHEMBL5275342
Phase Preclinical
Structure Type MOL
InChI Key ZXBPREXLEPSERZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.2
MW (Da)
4.15
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10O3
MW 250.25
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness 0.80

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.64 6.64 230.0 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 = 230.0 nM 6.64 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