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Compound Detail

CHEMBL1984894

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CCOC(=O)c1ccc(/N=c2\ssnc2Cl)cc1

Basic Information

ChEMBL ID CHEMBL1984894
Phase Preclinical
Structure Type MOL
InChI Key RTQKMSZUENTPQJ-RAXLEYEMSA-N
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.8
MW (Da)
3.27
ALogP
6
HBA
0
HBD
51.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9ClN2O2S2
MW 300.79
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.11

Activity Summary

IC50 6 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 5.73 5.355 1870.0 2
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
IC50 5.65 5.65 2220.0 1
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1
CHEMBL2097170
IC50 5.15 5.045 7130.0 2
DNA dC->dU-editing enzyme APOBEC-3G
CHEMBL1741217
IC50 4.86 4.86 13800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine