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Compound Detail

CHEMBL2392363

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Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1

Basic Information

ChEMBL ID CHEMBL2392363
Phase Preclinical
Structure Type MOL
InChI Key FYRYKOQBRXRWER-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.8
MW (Da)
4.14
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClN3O2
MW 339.78
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.09

Activity Summary

IC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK4
CHEMBL4203
IC50 7.3 7.3 50.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.58 6.58 260.0 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 1
23642479 10.1016/j.bmcl.2013.02.096 Dual specificity protein kinase CLK4 1

Data from ChEMBL 36 via Core Engine