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Compound Detail

CHEMBL219355

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CC(=O)SCC(=O)Cc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL219355
Phase Preclinical
Structure Type MOL
InChI Key VFTICADFEWRDBW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.56
ALogP
3
HBA
1
HBD
49.9
PSA (Ų)
0.90
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 C13H13NO2S
MW 247.32
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.04

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17201406 10.1021/jm060910c Peptide deformylase, mitochondrial 1
17201406 10.1021/jm060910c Escherichia coli 1
17201406 10.1021/jm060910c Bacillus subtilis 1
17201406 10.1021/jm060910c Peptide deformylase 1A, chloroplastic/mitochondrial 1
17201406 10.1021/jm060910c Peptide deformylase 1
17201406 10.1021/jm060910c Unchecked 1

Data from ChEMBL 36 via Core Engine