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Compound Detail

CHEMBL1565536

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CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)N(C)C

Basic Information

ChEMBL ID CHEMBL1565536
Phase Preclinical
Structure Type MOL
InChI Key YAHHFWGBZGKXKT-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
3.46
ALogP
6
HBA
2
HBD
83.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O4S2
MW 381.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.91

Activity Summary

IC50 2 meas. best 4.71
EC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL5530
EC50 5.52 5.52 3010.0 1
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 4.71 4.71 19500.0 1
C-C chemokine receptor type 6
CHEMBL4423
IC50 4.32 4.32 47400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine