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Compound Detail

CHEMBL183861

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Nc1ccnc(C(=O)Nc2nccs2)c1

Basic Information

ChEMBL ID CHEMBL183861
Phase Preclinical
Structure Type MOL
InChI Key DXNJZVBIANYQEG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
1.37
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N4OS
MW 220.26
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -2.15

Activity Summary

IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 5.17 5.17 6710.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase IC50 = 6710.0 nM 5.17 Inhibitory concentration against Escherichia coli methionine aminopeptidase 1 15664828

Literature References

PubMed DOI Target Context # Activities
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine