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Compound Detail

CHEMBL487166

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c1ccc2[nH]c(NC3CCCc4sccc43)nc2c1

Basic Information

ChEMBL ID CHEMBL487166
Phase Preclinical
Structure Type MOL
InChI Key GUNCRGOWHVVDBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.4
MW (Da)
4.11
ALogP
3
HBA
2
HBD
40.7
PSA (Ų)
0.73
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 C15H15N3S
MW 269.37
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.58

Activity Summary

Kd 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 3
CHEMBL3780
Kd 6.27 6.27 540.0 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