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Compound Detail

CHEMBL291552

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CCOC(=O)C(CCc1ccccc1)N(C)C(C)C(=O)N1Cc2ccccc2CC1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291552
Phase Preclinical
Structure Type MOL
InChI Key IPBPBZKYCUFDQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
2.91
ALogP
5
HBA
1
HBD
87.2
PSA (Ų)
0.59
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 C26H32N2O5
MW 452.55
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.27

Literature References

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

Data from ChEMBL 36 via Core Engine