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Compound Detail

CHEMBL2115076

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CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115076
Phase Preclinical
Structure Type MOL
InChI Key XGYXZZNEBKNVOA-ORYQWCPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.70
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O5
MW 424.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
3020249 10.1021/jm00160a026 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine