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Compound Detail

CHEMBL149131

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O=C(O)CCNC(=O)C(Cc1ccccc1)CP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149131
Phase Preclinical
Structure Type MOL
InChI Key IZIVKIRABKNNOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
0.61
ALogP
3
HBA
4
HBD
123.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18NO6P
MW 315.26
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 IC50 6.68 6.68 207.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 207.0 nM 6.68 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