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
ALOSETRON

ALOSETRON


ATC A03AE01

METABOLISM
IRRITABLE BOWEL SYNDROME (THERAPEUTIC)
ANTIEMETIC
5-HT3 RECEPTOR ANTAGONIST
GASTROINTESTINAL AGENTS
SEROTONIN ANTAGONISTS

ORAL

Cmax 30.6 NANOMOLAR

Tmax 1 HOUR

F 55 PERCENT

VD 80 LITER

PPB 82 PERCENT

Cl 36 LITER / HOUR

HT 1.5 HOUR

SOLUBILITY OF 61 MILLIGRAM / MILLILITER IN WATER

5-HYDROXYTRYPTAMINE 3 RECEPTOR

SEROTONIN 3A (5-HT3A) RECEPTOR ANTAGONIST CHEMBL1899 SEROTONIN 3A (5-HT3A) RECEPTOR P46098 5-HYDROXYTRYPTAMINE RECEPTOR 3A HOMO SAPIENS ION CHANNEL LGIC 5HT3ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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