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Compound Detail

CHEMBL366420

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O=C(NC(Cc1ccccc1)C(=O)COCC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366420
Phase Preclinical
Structure Type MOL
InChI Key JEXNTKVTKDPTMQ-GFOWMXPYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
1.69
ALogP
5
HBA
2
HBD
113.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O6
MW 438.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL2096989
 IC50 8.36 8.36 4.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 4.4 nM 8.36 Concentration required for 50% inhibition of Angiotensin I converting enzyme 6288947

Literature References

PubMed DOI Target Context # Activities
6288947 10.1021/jm00350a023 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine