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
CLEMASTINE

CLEMASTINE


ATC D04AA14
ATC R06AA04
ATC R06AA54

DERMATOLOGICALS
ANTIHISTAMINE
ANTI-ALLERGIC AGENTS
ANTIPRURITICS
HISTAMINE H1 RECEPTOR ANTAGONIST
ANTICHOLINERGIC

ORAL

Cmax 1.7 NANOMOLAR (DOSE 1 MILLIGRAM) PMID17475437

Tmax 3.5 HOUR

HISTAMINE H1 RECEPTOR

HISTAMINE H1 RECEPTOR ANTAGONIST CHEMBL231 HISTAMINE H1 RECEPTOR P35367 HISTAMINE H1 RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR HISTAMINE RECEPTORANSM (in French)

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