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Compound Detail

CHEMBL515502

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c1ccc(C2CCCN2c2nc3ccccc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL515502
Phase Preclinical
Structure Type MOL
InChI Key MCPMQYDXTHQKJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.90
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.76
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 C17H17N3
MW 263.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.83

Activity Summary

Kd 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 3
CHEMBL3780
Kd 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18998663 10.1021/jm800809f Small conductance calcium-activated potassium channel protein 3 1

Data from ChEMBL 36 via Core Engine