Cheminformatic Tools and Databases for Pharmacology

session 30786 - Total of 2 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
M SACUBITRIL (is an active metabolite)

SACUBITRIL


ATC C09DX04

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

-

Tmax 2 HOUR

PPB 94 PERCENT

HT 11.5 HOUR

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

NEPRILYSIN INHIBITOR CHEMBL1944 NEPRILYSIN P08473 NEPRILYSIN HOMO SAPIENS ENZYME PROTEASE METALLO MAE M13ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
SACUBITRIL (has an active metabolite)

SACUBITRIL


ATC C09DX04

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

ORAL

Tmax 0.5 HOUR

F 60 PERCENT

VD 103 LITER

PPB 94 PERCENT

Cl 51 LITER / HOUR (EQN)

HT 1.4 HOUR

NEPRILYSIN

NEPRILYSIN INHIBITOR CHEMBL1944 NEPRILYSIN P08473 NEPRILYSIN HOMO SAPIENS ENZYME PROTEASE METALLO MAE M13ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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