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Compound Detail

CHEMBL297914

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O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cc(Cl)ccc1O

Basic Information

ChEMBL ID CHEMBL297914
Phase Preclinical
Structure Type MOL
InChI Key OHDHEIYNYTUBMD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.7
MW (Da)
2.91
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.46
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 C13H9ClN2O5
MW 308.68
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
IC50 5.28 5.28 5248.1 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