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Compound Detail

CHEMBL276505

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C[C@H](CS)C(=O)N1C[C@@H](Sc2ccc(Cl)cc2)C[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL276505
Phase Preclinical
Structure Type MOL
InChI Key UHTIAEBQXCNUHI-ICCXJUOJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.9
MW (Da)
3.05
ALogP
4
HBA
2
HBD
57.6
PSA (Ų)
0.79
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 C15H18ClNO3S2
MW 359.90
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.44

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL2625
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 11.0 nM 7.96 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