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Compound Detail

CHEMBL189127

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O=C(COCc1ccccc1)OCCc1scnc1C(=O)Nc1nccs1

Basic Information

ChEMBL ID CHEMBL189127
Phase Preclinical
Structure Type MOL
InChI Key UVMFBMOBLUCTHK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.15
ALogP
8
HBA
1
HBD
90.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O4S2
MW 403.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.61

Activity Summary

IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 6.89 6.89 130.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.26 6.26 550.0 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