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Compound Detail

CHEMBL480414

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NC(=O)c1nn[nH]c1-n1nnc2cc(-c3ccccc3)ccc21

Basic Information

ChEMBL ID CHEMBL480414
Phase Preclinical
Structure Type MOL
InChI Key QWYRJKKVNVPOHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
1.30
ALogP
6
HBA
2
HBD
115.4
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 C15H11N7O
MW 305.30
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
IC50 5.06 5.06 8709.6 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