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Compound Detail

CHEMBL112545

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O=C(O)CN(C(=O)c1ccc(Cl)cc1S)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112545
Phase Preclinical
Structure Type MOL
InChI Key BIBQLMODUMAYET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
3.10
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 C14H16ClNO3S
MW 313.81
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
2983075 10.1021/jm00381a012 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine