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Compound Detail

CHEMBL363299

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COC(Cc1scnc1C(=O)Nc1nccs1)c1cccc(F)c1

Basic Information

ChEMBL ID CHEMBL363299
Phase Preclinical
Structure Type MOL
InChI Key FBOROBKOCKARKO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.92
ALogP
6
HBA
1
HBD
64.1
PSA (Ų)
0.72
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 C16H14FN3O2S2
MW 363.44
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.72

Activity Summary

IC50 2 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 7.43 7.43 37.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.47 6.47 340.0 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