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Compound Detail

CHEMBL1829582

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O=C(O)CCNC(=O)[C@H](Cc1ccccc1)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1829582
Phase Preclinical
Structure Type MOL
InChI Key NRFZUXDTHMEYQN-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
-0.14
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.50
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 C14H18N2O5
MW 294.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.22

Activity Summary

IC50 1 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL1944
 IC50 4.36 4.36 44000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 44000.0 nM 4.36 Inhibition of neutral endopeptidase in human fibroblasts homogenates using gluta... 21937235

Literature References

PubMed DOI Target Context # Activities
21937235 10.1016/j.bmc.2011.08.064 Neprilysin 1

Data from ChEMBL 36 via Core Engine