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
EPHEDRINE (has an active metabolite)

EPHEDRINENATURAL MOLECULE (link)


ATC R01AA03
ATC C01CA26
ATC R01AB05
ATC R03CA02
ATC S01FB02
ATC A08AA56

RESPIRATORY
SYMPATHOMIMETIC
ALPHA AND BETA ADRENERGIC AGONIST
NOREPINEPHRINE RELEASING AGENT
TREATMENT OF CLINICALLY IMPORTANT HYPOTENSION OCCURRING IN THE SETTING OF ANESTHESIA
METABOLIZED INTO NOREPHEDRINE

INTRAVENOUS

HT 6 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

ALPHA ADRENERGIC RECEPTOR
BETA ADRENERGIC RECEPTOR

GPCR ADRB2_HUMAN AGONIST P07550ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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