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Compound Detail

CHEMBL359683

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O=C(Nc1nccs1)c1ncsc1NC(=O)C1CCCC1

Basic Information

ChEMBL ID CHEMBL359683
Phase Preclinical
Structure Type MOL
InChI Key VIJUUUIHPRKJOM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.98
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O2S2
MW 322.42
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.08

Activity Summary

IC50 2 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 7.62 7.62 24.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.89 6.89 130.0 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