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Compound Detail

CHEMBL481578

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O=C(c1ccccc1O)n1nnc2cc(-c3ccccc3)ccc21

Basic Information

ChEMBL ID CHEMBL481578
Phase Preclinical
Structure Type MOL
InChI Key MPIOSXUIBYSWID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
3.49
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13N3O2
MW 315.33
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
IC50 5.48 5.48 3311.3 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