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Compound Detail

CHEMBL196358

THIOLACTONE
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CC1=C(O)SC(C)C1=O

Basic Information

ChEMBL ID CHEMBL196358
Name THIOLACTONE
Phase Preclinical
Structure Type MOL
InChI Key FAYOCELKCDKZCA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

144.2
MW (Da)
1.48
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H8O2S
MW 144.19
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.35

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21376591 10.1016/j.bmcl.2011.02.008 Mycobacterium tuberculosis 4
16392800 10.1021/jm050825p 3-oxoacyl-[acyl-carrier-protein] synthase 1 2
16161997 10.1021/jm049067d Plasmodium falciparum 1
16161997 10.1021/jm049067d Trypanosoma cruzi 1
16161997 10.1021/jm049067d Trypanosoma brucei rhodesiense 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 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III 1
16392800 10.1021/jm050825p 3-oxoacyl-[acyl-carrier-protein] synthase 2 1
20206517 10.1016/j.bmcl.2010.02.017 Plasmodium falciparum 1
20206517 10.1016/j.bmcl.2010.02.017 Unchecked 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1
21376591 10.1016/j.bmcl.2011.02.008 Plasmodium falciparum 1
21376591 10.1016/j.bmcl.2011.02.008 Unchecked 1

Data from ChEMBL 36 via Core Engine