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Compound Detail

CHEMBL12050

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CC(=O)SCC1CCCN(CC(N)=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12050
Phase Preclinical
Structure Type MOL
InChI Key JHHCHPTVSLMRRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
-0.01
ALogP
4
HBA
1
HBD
80.5
PSA (Ų)
0.75
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 C10H16N2O3S
MW 244.32
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
6259352 10.1021/jm00133a021 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine