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Compound Detail

CHEMBL200852

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C=CCCCCC1(C)SC(=O)C(C)=C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200852
Phase Preclinical
Structure Type MOL
InChI Key VHYQZNQCEOCRPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
3.60
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18O2S
MW 226.34
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.37

Literature References

PubMed DOI Target Context # Activities
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
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