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Compound Detail

CHEMBL360353

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CCOC(=O)CC(=O)Nc1scnc1C(=O)Nc1nccs1

Basic Information

ChEMBL ID CHEMBL360353
Phase Preclinical
Structure Type MOL
InChI Key OOUWLDLZLGDRQA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
1.74
ALogP
8
HBA
2
HBD
110.3
PSA (Ų)
0.61
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 C12H12N4O4S2
MW 340.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.81

Activity Summary

IC50 2 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 7.18 7.18 66.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.17 6.17 670.0 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