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

CHEMBL196418

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
CC(C)=CCC1(C)SC(O)=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196418
Phase Preclinical
Structure Type MOL
InChI Key GRNOSLWBWNDQDA-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
3.21
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.71
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 C11H16O2S
MW 212.31
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.47

Activity Summary

IC50 4 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
 IC50 4.25 4.25 56000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani IC50 = 56000.0 nM 4.25 Inhibitory concentration against amastigotes of Leishmania donovani strain MHOM/... 16161997

Literature References

PubMed DOI Target Context # Activities
16161997 10.1021/jm049067d Plasmodium falciparum 2
16161997 10.1021/jm049067d Trypanosoma cruzi 2
16161997 10.1021/jm049067d Trypanosoma brucei rhodesiense 2
16392800 10.1021/jm050825p Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III 2
16392800 10.1021/jm050825p 3-oxoacyl-[acyl-carrier-protein] synthase 1 2
16161997 10.1021/jm049067d Leishmania donovani 1
16161997 10.1021/jm049067d Beta-ketoacyl-ACP-synthase III 1
16392800 10.1021/jm050825p Escherichia coli 1
16392800 10.1021/jm050825p Mycobacterium tuberculosis 1
16392800 10.1021/jm050825p 3-oxoacyl-[acyl-carrier-protein] synthase 3 1
16392800 10.1021/jm050825p 3-oxoacyl-[acyl-carrier-protein] synthase 2 1

Data from ChEMBL 36 via Core Engine