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Compound Detail

CHEMBL1440157

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COc1ccccc1CNc1ncncc1-c1ccc2c(c1)OCO2

Basic Information

ChEMBL ID CHEMBL1440157
Phase Preclinical
Structure Type MOL
InChI Key FGGKTXOIFZTBKE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.49
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O3
MW 335.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK4 IC50 = 2200.0 nM 5.66 Inhibition of CLK4 (unknown origin) by bioluminescence assay 23642479

Literature References

PubMed DOI Target Context # Activities
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity protein kinase CLK4 1

Data from ChEMBL 36 via Core Engine