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Compound Detail

CHEMBL290328

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COC(=O)[C@H](CC(C)C)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290328
Phase Preclinical
Structure Type MOL
InChI Key DIAKVMVEHAUODE-GJZGRUSLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
1.60
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.72
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 C19H26N2O5
MW 362.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 1000.0 nM 6.0 In vitro inhibitory activity against Angiotensin I converting enzyme 2999394

Literature References

PubMed DOI Target Context # Activities
2999394 10.1021/jm00149a010 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine