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Compound Detail

CHEMBL202817

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COc1cc(CC2(C)SC(O)=C(C)C2=O)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202817
Phase Preclinical
Structure Type MOL
InChI Key ZORMHJZYDWSYKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.11
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18O4S
MW 294.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.41

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