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Compound Detail

CHEMBL196776

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CCCCCCCCC1(C)SC(O)=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196776
Phase Preclinical
Structure Type MOL
InChI Key USFWUYMDOFJDDI-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
4.60
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.68
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 C14H24O2S
MW 256.41
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.73

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
16392800 10.1021/jm050825p 3-oxoacyl-[acyl-carrier-protein] synthase 3 2
16392800 10.1021/jm050825p 3-oxoacyl-[acyl-carrier-protein] synthase 1 2
16392800 10.1021/jm050825p Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III 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 2 1

Data from ChEMBL 36 via Core Engine