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 RECEPTOREMA

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