Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2372594

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NCC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2372594
Phase Preclinical
Structure Type MOL
InChI Key JETREHBNPJNSMA-ZIAGYGMSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
0.89
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.50
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 C17H24N2O5
MW 336.39
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.08

Activity Summary

IC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL2642
 IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 18000.0 nM 4.75 50% Inhibitory potency against enkephalinase from mouse striatum. 6298420

Literature References

PubMed DOI Target Context # Activities
6298420 10.1021/jm00355a013 Neprilysin 1

Data from ChEMBL 36 via Core Engine