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Compound Detail

CHEMBL365225

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O=C(Nc1nccs1)c1ncsc1CCO

Basic Information

ChEMBL ID CHEMBL365225
Phase Preclinical
Structure Type MOL
InChI Key VAELQXGRIMRZKB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
1.39
ALogP
6
HBA
2
HBD
75.1
PSA (Ų)
0.87
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 C9H9N3O2S2
MW 255.32
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.87

Activity Summary

IC50 2 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 6.33 6.33 470.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 4.98 4.98 10390.0 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