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Compound Detail

CHEMBL159996

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O=C(CNC(=O)C1CCCCC1C(=O)O)NOCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159996
Phase Preclinical
Structure Type MOL
InChI Key SMCCUIFNXHOLDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
1.24
ALogP
4
HBA
3
HBD
104.7
PSA (Ų)
0.65
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 C17H22N2O5
MW 334.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
8459398 10.1021/jm00058a006 Angiotensin-converting enzyme 2

Data from ChEMBL 36 via Core Engine