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Compound Detail

CHEMBL469732

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C[C@@H](Nc1cc(Cl)nc2ccnn12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL469732
Phase Preclinical
Structure Type MOL
InChI Key BVPWVKUKBFNUNQ-SNVBAGLBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.7
MW (Da)
3.56
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.74
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 C14H13ClN4
MW 272.74
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 3
CHEMBL3381
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18824351 10.1016/j.bmcl.2008.08.026 Small conductance calcium-activated potassium channel protein 3 1

Data from ChEMBL 36 via Core Engine