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Compound Detail

CHEMBL179759

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Cc1scnc1C(=O)Nc1nccs1

Basic Information

ChEMBL ID CHEMBL179759
Phase Preclinical
Structure Type MOL
InChI Key OBHRGZAMQBOQKL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
2.16
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7N3OS2
MW 225.30
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.29

Activity Summary

IC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 6.75 6.75 180.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 5.01 5.01 9820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15993057 10.1016/j.bmcl.2005.05.055 Methionine aminopeptidase 1
15993057 10.1016/j.bmcl.2005.05.055 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine