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Compound Detail

CHEMBL371393

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COC(Cc1scnc1C(=O)Nc1nccs1)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL371393
Phase Preclinical
Structure Type MOL
InChI Key KJQIFQRGDDYBLM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.9
MW (Da)
4.44
ALogP
6
HBA
1
HBD
64.1
PSA (Ų)
0.69
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 C16H14ClN3O2S2
MW 379.89
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.54

Activity Summary

IC50 2 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 7.48 7.48 33.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.24 6.24 570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16005224 10.1016/j.bmcl.2005.06.005 Methionine aminopeptidase 1
16005224 10.1016/j.bmcl.2005.06.005 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine