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Compound Detail

CHEMBL1907792

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CN(O)C(=O)[C@@H](Cc1ccccc1)NC(=O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1907792
Phase Preclinical
Structure Type MOL
InChI Key XEEJPKGVNLANLU-SNVBAGLBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
0.04
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O5
MW 280.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3768
 IC50 5.22 5.22 6070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 6070.0 nM 5.22 Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP) 2900898

Literature References

PubMed DOI Target Context # Activities
2900898 10.1021/jm00117a025 Unchecked 2
2900898 10.1021/jm00117a025 Neprilysin 1

Data from ChEMBL 36 via Core Engine