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
EPINASTINE

EPINASTINE


ATC R06AX24
ATC S01GX10

RESPIRATORY SYSTEM
ANTIHISTAMINE
ANTIALLERGIC
HISTAMINE H1 RECEPTOR ANTAGONISTS

OPHTHALMIC

Cmax 0.16 NANOMOLAR

VD 969 LITER (EQN)

PPB 64 PERCENT

Cl 56 LITER / HOUR

HT 12 HOUR

HISTAMINE H1 RECEPTOR
5-HYDROXYTRYPTAMINE 2A RECEPTOR
ALPHA-1A ADRENERGIC RECEPTOR
ALPHA-2 ADRENERGIC 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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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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