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Compound Detail

CHEMBL291381

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O=C(CCC(=O)N1CCCC1C(=O)O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291381
Phase Preclinical
Structure Type MOL
InChI Key RIUWPQJZYUEURU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
-0.65
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H14N2O5
MW 230.22
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 50000.0 nM 4.3 Inhibition of Angiotensin I converting enzyme 8340909

Literature References

PubMed DOI Target Context # Activities
8340909 10.1021/jm00067a001 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine