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Compound Detail

CHEMBL361978

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O=C(Nc1nccs1)c1ncsc1Cc1ccc(F)cc1Cl

Basic Information

ChEMBL ID CHEMBL361978
Phase Preclinical
Structure Type MOL
InChI Key GOJSWWPJAAVYDR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.8
MW (Da)
4.24
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.76
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 C14H9ClFN3OS2
MW 353.83
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.46

Activity Summary

IC50 2 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 7.09 7.09 82.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.05 6.05 900.0 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