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Compound Detail

CHEMBL15777

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C[C@H](CS)C(=O)N1C[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL15777
Phase Preclinical
Structure Type MOL
InChI Key ZJAFSOKXFCWPPA-WXHSDQCUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
1.08
ALogP
5
HBA
2
HBD
91.8
PSA (Ų)
0.77
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 C15H19NO5S2
MW 357.45
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL2625
 IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 28.0 nM 7.55 In vitro inhibitory activity against angiotensin I converting enzyme of rats. 2836590

Literature References

PubMed DOI Target Context # Activities
2836590 10.1021/jm00401a014 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine