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Compound Detail

CHEMBL3890914

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O=C(O)C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)CCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3890914
Phase Preclinical
Structure Type MOL
InChI Key TWKJROJSAYIJLA-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.8
MW (Da)
3.22
ALogP
3
HBA
4
HBD
123.9
PSA (Ų)
0.44
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 C19H20ClFNO6P
MW 443.80
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 9.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL1944
 IC50 9.96 9.96 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 0.11 nM 9.96 In Vitro Inhibiton Assay: Recombinant human neutral endopeptidase (expressed in ... -

Data from ChEMBL 36 via Core Engine