Cheminformatic Tools and Databases for Pharmacology

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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
TELMISARTAN

TELMISARTAN


ATC C09CA07
ATC C09DB04
ATC C09DA07

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANGIOTENSIN II RECEPTOR ANTAGONIST

ORAL

Tmax 0.75 HOUR

F 58 PERCENT

VD 500 LITER

PPB 99.5 PERCENT

Cl 48 LITER / HOUR

HT 24 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

ANGIOTENSIN II RECEPTOR

PDB 3VN2 (CRYSTAL STRUCTURE OF PPARGAMMA COMPLEXED WITH TELMISARTAN)

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

Download experimental 3D coordinates of TLS with added hydrogens

Type-1 angiotensin II receptor P30556 (AGTR1_HUMAN)EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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