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Compound Detail

CHEMBL183136

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COc1cccnc1C(=O)Nc1nccs1

Basic Information

ChEMBL ID CHEMBL183136
Phase Preclinical
Structure Type MOL
InChI Key OCYFPQJDMJRVMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.80
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.88
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 C10H9N3O2S
MW 235.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.97

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 5.35 5.35 4490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase IC50 = 4490.0 nM 5.35 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