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Compound Detail

CHEMBL323051

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O=C(O)C1CCC(=O)N1CCCS
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323051
Phase Preclinical
Structure Type MOL
InChI Key SJCJKOQECKPGJR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
0.38
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.65
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 C8H13NO3S
MW 203.26
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.21

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9379435 10.1021/jm970211n Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine