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Compound Detail

CHEMBL465456

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O=[N+]([O-])c1ccc(O)c(-n2nncc2-c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL465456
Phase Preclinical
Structure Type MOL
InChI Key ANUIERZLOCVFPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.55
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.59
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 C14H10N4O3
MW 282.26
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
IC50 5.58 5.58 2630.3 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