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Compound Detail

CHEMBL262739

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CC(=O)SCC(=O)Cc1cn(C(=O)OCc2ccccc2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL262739
Phase Preclinical
Structure Type MOL
InChI Key KFKIPDJTXBQTHU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.22
ALogP
6
HBA
0
HBD
65.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO4S
MW 381.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.37

Activity Summary

IC50 3 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 100000.0 nM 4.0 Inhibition of PDF2 17201406

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