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Compound Detail

CHEMBL360536

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

Basic Information

ChEMBL ID CHEMBL360536
Phase Preclinical
Structure Type MOL
InChI Key WPGNBXOKKGNCRD-GFOWMXPYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
1.26
ALogP
5
HBA
3
HBD
115.8
PSA (Ų)
0.52
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 C24H27N3O5
MW 437.50
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.50

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL2096989
 IC50 6.02 6.02 960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 960.0 nM 6.02 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