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Compound Detail

CHEMBL4073192

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O=C(CNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)NO

Basic Information

ChEMBL ID CHEMBL4073192
Phase Preclinical
Structure Type MOL
InChI Key OVGPBWNCIUJHRG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.8
MW (Da)
1.79
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.57
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 C14H13ClN2O4S
MW 340.79
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Meprin A subunit beta
CHEMBL4105879
IC50 5.25 5.25 5650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Meprin A subunit beta IC50 = 5650.0 nM 5.25 Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK... 28408220

Literature References

PubMed DOI Target Context # Activities
28408220 10.1016/j.bmcl.2017.04.012 Meprin A subunit beta 1

Data from ChEMBL 36 via Core Engine