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Compound Detail

CHEMBL480795

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Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL480795
Phase Preclinical
Structure Type MOL
InChI Key IQJXLAUVNZXDJM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.7
MW (Da)
3.51
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11ClN2O4
MW 306.70
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
IC50 5.39 5.39 4073.8 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