e-Drug3D

1790

M SACUBITRIL


INN
SACUBITRIL

(is an active metabolite)

cas 149709-44-4
CLASS

CARDIOVASCULAR
NEUTRAL ENDOPEPTIDASE NEPRILYSIN (NEP) INHIBITOR
TREATMENT OF PATIENTS WITH CHRONIC HEART FAILURE

ROUTE (list)

-

ATC code

C09DX04

PK parameters

Tmax 2 HOUR
PPB 94 PERCENT
t1/2 11.5 HOUR

Target

TARGET NEPRILYSIN

PDB
5JMY (NEPRILYSIN COMPLEXED WITH LBQ657)

Ligand code = 6LD (link to the list of PDB complexes)

Download experimental 3D coordinates of 6LD with added hydrogens

DrugCentral

Neprilysin UNIPROT P08473 MME

Download SDF file [1,1'-Biphenyl]-4-pentanoic acid, gamma-[(3-carboxy-1-oxopropyl)amino]-alpha-methyl-, (alphaR,gammaS)-

Formula:
C22H25NO5

Calculated chemical properties:

MW 381.41
NB_atoms 28
XLogP 0.69
PSA 98.806
NB_HD 1
NB_HA 6
fsp3 0.32
Lipinski(0=no;1=yes) 1

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL