Cheminformatic Tools and Databases for Pharmacology

session 56478 - Total of 1 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
ATORVASTATIN

ATORVASTATIN


ATC C10AA05
ATC C10BX08
ATC C10BX03
ATC C10BA05
ATC C10BA08
ATC C10BX15
ATC C10BX12
ATC C10BX06
ATC C10BX19
ATC C10BX11
ATC C10BX18

CARDIOVASCULAR
ANTIHYPERLIPIDEMIC
HMG-COA REDUCTASE INHIBITOR
ANTICHOLESTEREMIC AGENTS

ORAL

Tmax 1.5 HOUR

F 14 PERCENT

VD 381 LITER

PPB 98 PERCENT

Cl 18.8 LITER / HOUR (EQN)

HT 14 HOUR

SOLUBILITY IS VERY SLIGHTLY SOLUBLE IN DISTILLED WATER PH 7.4 PHOSPHATE BUFFER

3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE

PDB 1HWK (COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ATORVASTATIN)

LIGAND CODE = 117 (link to the list of PDB complexes)

Download experimental 3D coordinates of 117 with added hydrogens

3-hydroxy-3-methylglutaryl-coenzyme A reductase UNIPROT P04035 HMGCR

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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