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Compound Detail

CHEMBL94119

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

Basic Information

ChEMBL ID CHEMBL94119
Phase Preclinical
Structure Type MOL
InChI Key BBIXOODYWPFNDT-YIZRAAEISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
0.44
ALogP
3
HBA
2
HBD
83.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H20N2O3
MW 228.29
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.05

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1
7629809 10.1021/jm00014a022 Unchecked 1

Data from ChEMBL 36 via Core Engine