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Compound Detail

CHEMBL149646

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O=C(O)c1ccc(NC(=O)C(Cc2ccc(-c3ccccc3)cc2)NCP(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149646
Phase Preclinical
Structure Type MOL
InChI Key JDKUZYYBXRCCFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
3.33
ALogP
4
HBA
5
HBD
136.0
PSA (Ų)
0.31
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 C23H23N2O6P
MW 454.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 10.0 nM 8.0 In vitro inhibition of Neutral endopeptidase (NEP) enzyme 8120868

Literature References

PubMed DOI Target Context # Activities
8120868 10.1021/jm00030a009 Neprilysin 1

Data from ChEMBL 36 via Core Engine