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Compound Detail

CHEMBL359929

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C=CCC(=O)Nc1ccc(C(=O)Nc2nccs2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359929
Phase Preclinical
Structure Type MOL
InChI Key OEVRFVCVSAQTSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.31
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4O2S
MW 288.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
 IC50 6.0 6.0 1010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase IC50 = 1010.0 nM 6.0 Inhibitory concentration against Escherichia coli methionine aminopeptidase 1 15664828

Literature References

PubMed DOI Target Context # Activities
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine