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Compound Detail

CHEMBL504160

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Cc1ccc2c(c1)nnn2C(=O)c1ccccc1O

Basic Information

ChEMBL ID CHEMBL504160
Phase Preclinical
Structure Type MOL
InChI Key ZPGKGVJDISECNN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.13
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O2
MW 253.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
IC50 6.84 6.84 144.5 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