Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL204036

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCS(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204036
Phase Preclinical
Structure Type MOL
InChI Key BKTVXKOUQHSNOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
1.70
ALogP
5
HBA
1
HBD
97.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClNO5S2
MW 401.89
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteine protease
CHEMBL4751
 IC50 4.6 4.6 24900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteine protease IC50 = 24900.0 nM 4.6 Inhibition of Leishmania donovani cysteine protease 16509575

Literature References

PubMed DOI Target Context # Activities
16509575 10.1021/jm0505765 Cysteine protease 1

Data from ChEMBL 36 via Core Engine