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Compound Detail

CHEMBL331729

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CC1=C(O)C(C)(Cc2ccc(F)cc2F)SC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331729
Phase Preclinical
Structure Type MOL
InChI Key RJNHVCDKROMLMD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.37
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.89
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 C13H12F2O2S
MW 270.30
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.34

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