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Compound Detail

CHEMBL2392360

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COc1ccc(-c2ccnc(NCc3ccc(Cl)c(Cl)c3)n2)cc1

Basic Information

ChEMBL ID CHEMBL2392360
Phase Preclinical
Structure Type MOL
InChI Key CKKUHARWBUXFAW-UHFFFAOYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

360.2
MW (Da)
5.07
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.69
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15Cl2N3O
MW 360.24
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.38

Activity Summary

IC50 7 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK1
CHEMBL4224
IC50 7.12 7.12 76.0 1
Dual specificity protein kinase CLK4
CHEMBL4203
IC50 7.04 6.86 92.0 2
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.69 6.315 203.0 2
Dual specificity protein kinase CLK2
CHEMBL4225
IC50 6.39 6.39 409.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
IC50 6.39 6.39 411.0 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 tyrosine-phosphorylation-regulated kinase 1A 2
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity protein kinase CLK4 2
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity protein kinase CLK2 1
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity protein kinase CLK1 1

Data from ChEMBL 36 via Core Engine