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

CHEMBL201227

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
CCCCC(CC)CC1(C)SC(O)=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201227
Phase Preclinical
Structure Type MOL
InChI Key VLJYGBUQBGLSQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
4.46
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
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 0.96

Literature References

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