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Compound Detail

CHEMBL139523

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O=C(CCC(=O)N1CCCC1C(=O)O)CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139523
Phase Preclinical
Structure Type MOL
InChI Key WGQHHYUMPFEMKB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.04
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO4
MW 303.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2984419 10.1021/jm00382a008 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine