Cheminformatic Tools and Databases for Pharmacology

session 66378 - Total of 2 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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 TICAGRELOR (is an active metabolite)

TICAGRELOR


ATC B01AC24

BLOOD
P2Y12 PLATELET INHIBITOR
ANTITHROMBOTIC AGENTS

-

Cmax 0.55 MICROMOLAR (200 MILLIGRAM) DOI:10.1124/DMD.110.032250

F 36 PERCENT

VD 88 LITER

PPB 99 PERCENT

Cl 6.7 LITER / HOUR (EQN)

HT 9 HOUR

P2Y12 ADP-RECEPTOR

PURINERGIC RECEPTOR P2Y12 NEGATIVE ALLOSTERIC MODULATOR CHEMBL2001 PURINERGIC RECEPTOR P2Y12 Q9H244 P2Y PURINOCEPTOR 12 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL NUCLEOTIDE-LIKE RECEPTOR PURINE RECEPTORANSM (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
TICAGRELOR (has an active metabolite)

TICAGRELOR


ATC B01AC24

BLOOD
P2Y12 PLATELET INHIBITOR
ANTITHROMBOTIC AGENTS

ORAL

Cmax 1.76 MICROMOLAR (200 MILLIGRAM) DOI:10.1124/DMD.110.032250

F 36 PERCENT

VD 88 LITER

PPB 99 PERCENT

Cl 8.7 LITER / HOUR (EQN)

HT 7 HOUR

SOLUBILITY AQUEOUS SOLUBILITY OF APPROXIMATELY 10 MICROGRAM / MILLILITER AT ROOM TEMPERATURE

P2Y12 ADP-RECEPTOR

PDB 5ALC (TICAGRELOR ANTIDOTE CANDIDATE FAB 72 IN COMPLEX WITH TICAGRELOR)

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

Download experimental 3D coordinates of TIQ with added hydrogens

PURINERGIC RECEPTOR P2Y12 NEGATIVE ALLOSTERIC MODULATOR CHEMBL2001 PURINERGIC RECEPTOR P2Y12 Q9H244 P2Y PURINOCEPTOR 12 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL NUCLEOTIDE-LIKE RECEPTOR PURINE RECEPTORANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |