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Compound Detail

CHEMBL329320

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O=C(Nc1cccnc1C(=O)Nc1nccs1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329320
Phase Preclinical
Structure Type MOL
InChI Key ZDZIVCQZGBYWHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.18
ALogP
5
HBA
2
HBD
84.0
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 C16H11FN4O2S
MW 342.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.07

Activity Summary

IC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
 IC50 5.87 5.87 1360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase IC50 = 1360.0 nM 5.87 Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli 12801227

Literature References

PubMed DOI Target Context # Activities
12801227 10.1021/jm0300532 Methionine aminopeptidase 1
12801227 10.1021/jm0300532 Methionine aminopeptidase 1 1
12801227 10.1021/jm0300532 Unchecked 1

Data from ChEMBL 36 via Core Engine