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Compound Detail

CHEMBL487165

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c1ccc2c(c1)SCCC2Nc1nc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL487165
Phase Preclinical
Structure Type MOL
InChI Key HFJIOLBSWLFSDE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
4.21
ALogP
3
HBA
2
HBD
40.7
PSA (Ų)
0.74
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 C16H15N3S
MW 281.38
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.25

Activity Summary

Kd 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 3
CHEMBL3780
Kd 6.89 6.89 130.0 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