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Compound Detail

CHEMBL1565328

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CCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1

Basic Information

ChEMBL ID CHEMBL1565328
Phase Preclinical
Structure Type MOL
InChI Key YLAKAILXHFFTNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
3.72
ALogP
4
HBA
2
HBD
44.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3OS2
MW 333.48
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.61

Activity Summary

EC50 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 5.91 5.91 1240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine