Cheminformatic Tools and Databases for Pharmacology

session 94980 - 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
DABIGATRAN (is an active metabolite)

DABIGATRAN


ATC B01AE07

BLOOD
ANTITHROMBOTIC AGENTS
THROMBINE INHIBITOR
TO REDUCE THE RISK OF STROKE AND SYSTEMIC EMBOLISM IN PATIENTS WITH NON-VALVULAR ATRIAL FIBRILLATION

-

Tmax 1 HOUR

F 5 PERCENT

VD 60 LITER

PPB 35 PERCENT

Cl 2.8 LITER / HOUR (EQN)

HT 14.5 HOUR

PROTHROMBIN

PDB 4JN2 (AN ANTIDOTE FOR DABIGATRAN)

LIGAND CODE = 4CC (link to the list of PDB complexes)

Download experimental 3D coordinates of 4CC with added hydrogens

THROMBIN INHIBITOR CHEMBL204 THROMBIN P00734 PROTHROMBIN HOMO SAPIENS ENZYME PROTEASE SERINE PAS S1AANSM (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
DABIGATRAN ETEXILATE (has an active metabolite)

DABIGATRAN ETEXILATE


ATC B01AE07

BLOOD
ANTITHROMBOTIC AGENTS
THROMBINE INHIBITOR
TO REDUCE THE RISK OF STROKE AND SYSTEMIC EMBOLISM IN PATIENTS WITH NON-VALVULAR ATRIAL FIBRILLATION

ORAL

SOLUBILITY OF 1.8 MILLIGRAM / MILLILITER

PROTHROMBIN

THROMBIN INHIBITOR CHEMBL204 THROMBIN P00734 PROTHROMBIN HOMO SAPIENS ENZYME PROTEASE SERINE PAS S1AANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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