Cheminformatic Tools and Databases for Pharmacology

session 82245 - 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
CLOPIDOGREL (has an active metabolite)

CLOPIDOGREL


ATC B01AC04

BLOOD
ANTICOAGULANT
PLATELET AGGREGATION INHIBITOR
ANTITHROMBOTIC
ANTIANGINAL
FIBRINOLYTIC AGENTS
TREATMENT OF ACUTE CORONARY SYNDROME, MYOCARDIAL INFARCTION, STROKE
ACTION THROUGH IRREVERSIBLE BINDING OF ITS METABOLITE

ORAL

Cmax 7.7 NANOMOLAR

Tmax 0.75 HOUR

F 50 PERCENT

PPB 98 PERCENT

HT 6 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER AT NEUTRAL PH BUT FREELY SOLUBLE AT PH 1

P2Y PURINOCEPTOR 12

PDB 3ME6 (CRYSTAL STRUCTURE OF CYTOCHROME 2B4 IN COMPLEX WITH THE ANTI-PLATELET DRUG CLOPIDOGREL)

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

Download experimental 3D coordinates of CGE with added hydrogens

P2Y purinoceptor 12 UNIPROT Q9H244 P2RY12

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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
M CLOPIDOGREL (is an active metabolite)

CLOPIDOGREL


ATC B01AC04

BLOOD
ANTICOAGULANT
PLATELET AGGREGATION INHIBITOR
ANTITHROMBOTIC
ANTIANGINAL
FIBRINOLYTIC AGENTS
TREATMENT OF ACUTE CORONARY SYNDROME, MYOCARDIAL INFARCTION, STROKE
ACTION THROUGH IRREVERSIBLE BINDING OF ITS METABOLITE

-

Cmax 64.7 NANOMOLAR (300 MILLIGRAM)

Tmax 0.75 HOUR

HT 0.5 HOUR

P2Y PURINOCEPTOR 12

P2Y purinoceptor 12 UNIPROT Q9H244 P2RY12

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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