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Compound Detail

CHEMBL482378

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Oc1ccc(Cl)cc1Cn1cc(Cc2ccccc2)nn1

Basic Information

ChEMBL ID CHEMBL482378
Phase Preclinical
Structure Type MOL
InChI Key HTTPBLCYNOZHSE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.8
MW (Da)
3.28
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.80
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 C16H14ClN3O
MW 299.76
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
IC50 5.11 5.11 7762.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19026552 10.1016/j.bmc.2008.10.068 Calcium-activated potassium channel subunit alpha-1 1

Data from ChEMBL 36 via Core Engine