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Compound Detail

CHEMBL89687

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O=C(Oc1cccnc1C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89687
Phase Preclinical
Structure Type MOL
InChI Key HVHMIAZHRRGKLG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.92
ALogP
8
HBA
1
HBD
124.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10N4O5S
MW 370.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase IC50 = 600.0 nM 6.22 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