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Compound Detail

CHEMBL5182248

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Oc1ccc(Oc2ccccc2Cl)c(-c2nnn[nH]2)c1

Basic Information

ChEMBL ID CHEMBL5182248
Phase Preclinical
Structure Type MOL
InChI Key GVHWWWYNDRLVMD-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.7
MW (Da)
3.02
ALogP
5
HBA
2
HBD
83.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClN4O2
MW 288.69
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.08

Activity Summary

Ki 4 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type II subunit alpha
CHEMBL2359
Ki 4.7 4.525 19952.6 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35500061 10.1021/acs.jmedchem.1c02177 Calcium/calmodulin-dependent protein kinase type II subunit alpha 4

Data from ChEMBL 36 via Core Engine