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Compound Detail

CHEMBL200281

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CC1=C(O)C(C)(Cc2ccc(Cl)cc2Cl)SC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200281
Phase Preclinical
Structure Type MOL
InChI Key FYFZMSCNRSAWOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
4.40
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.88
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 C13H12Cl2O2S
MW 303.21
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.14

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