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Compound Detail

CHEMBL1907762

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CC(SC(CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1907762
Phase Preclinical
Structure Type MOL
InChI Key JVZOJVSKVSEJNC-BLZCZZARSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
2.27
ALogP
4
HBA
2
HBD
94.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO5S
MW 365.45
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 6.24 6.24 580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 580.0 nM 6.24 In vitro inhibitory activity against Angiotensin I converting enzyme from unpuri... 2993618

Literature References

PubMed DOI Target Context # Activities
2993618 10.1021/jm00147a030 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine