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Compound Detail

CHEMBL332417

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CC1=C(O)C(C)(Cc2cccc(-c3ccccc3)c2)SC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332417
Phase Preclinical
Structure Type MOL
InChI Key YBXJPEBALXZCJK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.76
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O2S
MW 310.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.32

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14552758 10.1016/j.bmcl.2003.08.015 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine