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Compound Detail

CHEMBL2392366

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COc1ccc(-c2ccnc(NCc3ccc(Cl)c(Cl)c3)n2)cc1OC

Basic Information

ChEMBL ID CHEMBL2392366
Phase Preclinical
Structure Type MOL
InChI Key VGQKWMLIBUTHGG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
5.08
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17Cl2N3O2
MW 390.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.18

Activity Summary

IC50 2 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 4.58 4.58 26020.0 1
Dual specificity protein kinase CLK4
CHEMBL4203
IC50 4.58 4.58 26020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity protein kinase CLK4 2
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity protein kinase CLK1 1
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine