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Compound Detail

CHEMBL350258

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CC(=O)SCC(C)C(=O)N(CC(=O)O)c1ccc(C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL350258
Phase Preclinical
Structure Type MOL
InChI Key VXJBSZNYYMDLTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.14
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.83
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 C17H23NO4S
MW 337.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 60.0 nM 7.22 In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme... 2981324

Literature References

PubMed DOI Target Context # Activities
2981324 10.1021/jm00379a013 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine