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Compound Detail

CHEMBL5289480

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COc1ccc2c(c1)[nH]c1c(C(F)(F)F)nccc12

Basic Information

ChEMBL ID CHEMBL5289480
Phase Preclinical
Structure Type MOL
InChI Key IMCLQJYWHTYSBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
3.74
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9F3N2O
MW 266.22
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 7.25 7.25 56.0 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 = 56.0 nM 7.25 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