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Compound Detail

CHEMBL324242

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Cc1cccc(C(=O)N(CC(=O)O)C2CCCC2)c1S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324242
Phase Preclinical
Structure Type MOL
InChI Key HENWJMDWNWIQHK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
2.75
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO3S
MW 293.39
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2983075 10.1021/jm00381a012 Angiotensin-converting enzyme 3

Data from ChEMBL 36 via Core Engine