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Compound Detail

CHEMBL313650

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CCCCCC(=O)Nc1cccnc1C(=O)Nc1nccs1

Basic Information

ChEMBL ID CHEMBL313650
Phase Preclinical
Structure Type MOL
InChI Key SVNVQEZATVGUNX-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.31
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4O2S
MW 318.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.68

Activity Summary

IC50 4 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 6.42 6.42 380.0 2
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.21 6.21 620.0 2

Activity Data Samples

Top measurements by pChEMBL value

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
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