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Compound Detail

CHEMBL368640

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NC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368640
Phase Preclinical
Structure Type MOL
InChI Key UHRQYULIFWVZLW-ANYOKISRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
1.85
ALogP
4
HBA
2
HBD
109.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O4
MW 421.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 150.0 nM 6.82 Concentration required to inhibit the activity of Angiotensin I converting enzym... 6173481

Literature References

PubMed DOI Target Context # Activities
6173481 10.1021/jm00140a010 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine