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
LOSARTAN (has an active metabolite)

LOSARTAN


ATC C09CA01
ATC C09DB06
ATC C09DA01

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANGIOTENSIN II RECEPTOR ANTAGONIST
ANTI-ARRHYTHMIA AGENTS

ORAL

Tmax 1 HOUR

F 33 PERCENT

VD 34 LITER

PPB 98.7 PERCENT

Cl 36 LITER / HOUR

HT 2 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

TYPE-1 ANGIOTENSIN II RECEPTOR

PDB 5X24 (CRYSTAL STRUCTURE OF CYP2C9 GENETIC VARIANT I359L (*3) IN COMPLEX WITH MULTIPLE LOSARTAN MOLECULES)

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

Download experimental 3D coordinates of LSN 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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