Cheminformatic Tools and Databases for Pharmacology

session 57460 - 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
ICOSAPENT (is an active metabolite)

ICOSAPENTNATURAL MOLECULE (link)

CARDIOVASCULAR
ADJUNCT TO DIET TO REDUCE TRIGLYCERIDE (TG) LEVELS IN ADULT PATIENTS WITH SEVERE (>= 500 MG/DL) HYPERTRIGLYCERIDEMIA
POTENTIAL MECHANISMS OF ACTION INCLUDE INCREASED BETA-OXIDATION
INHIBITION OF ACYL-COA:1,2-DIACYLGLYCEROL ACYLTRANSFERASE (DGAT)
DECREASED LIPOGENESIS IN THE LIVER
AND INCREASED PLASMA LIPOPROTEIN LIPASE ACTIVITY

-

VD 88 LITER

PPB 99 PERCENT

Cl 0.68 LITER / HOUR

HT 89 HOUR

PDB 1IGX (CRYSTAL STRUCTURE OF EICOSAPENTANOIC ACID BOUND IN THE CYCLOOXYGENASE CHANNEL OF PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1.)

LIGAND CODE = EPA (link to the list of PDB complexes)

Download experimental 3D coordinates of EPA with added hydrogens

DIACYLGLYCEROL O-ACYLTRANSFERASE 1 O75907 DIACYLGLYCEROL O-ACYLTRANSFERASE 1 HOMO SAPIENS ENZYMEANSM (in French)

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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
ICOSAPENT ETHYL (has an active metabolite)

ICOSAPENT ETHYL

CARDIOVASCULAR
ADJUNCT TO DIET TO REDUCE TRIGLYCERIDE (TG) LEVELS IN ADULT PATIENTS WITH SEVERE (>= 500 MG/DL) HYPERTRIGLYCERIDEMIA
POTENTIAL MECHANISMS OF ACTION INCLUDE INCREASED BETA-OXIDATION
INHIBITION OF ACYL-COA:1,2-DIACYLGLYCEROL ACYLTRANSFERASE (DGAT)
DECREASED LIPOGENESIS IN THE LIVER
AND INCREASED PLASMA LIPOPROTEIN LIPASE ACTIVITY

ORAL

DIACYLGLYCEROL O-ACYLTRANSFERASE 1 O75907 DIACYLGLYCEROL O-ACYLTRANSFERASE 1 HOMO SAPIENS ENZYMEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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