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
DOLASETRON DISCONTINUED (has an active metabolite)

DOLASETRON


ATC A04AA04

METABOLISM
SEROTONIN 5HT3 ANTAGONIST
ANTIEMETIC

ORAL INJECTION

SOLUBILITY SLIGHTLY SOLUBLE IN NORMAL SALINE

5-HYDROXYTRYPTAMINE 3 RECEPTOR

5-hydroxytryptamine receptor 3A UNIPROT P46098 HTR3A

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
M DOLASETRON (is an active metabolite)

DOLASETRON


ATC A04AA04

METABOLISM
SEROTONIN 5HT3 ANTAGONIST
ANTIEMETIC

-

Cmax 1.7 MICROMOLAR (200 MILLIGRAM)

F 75 PERCENT

VD 377 LITER (65 KILOGRAM)

PPB 77 PERCENT

Cl 52 LITER / HOUR (65 KILOGRAM)

HT 8.1 HOUR

5-HYDROXYTRYPTAMINE 3 RECEPTOR

5-hydroxytryptamine receptor 3A UNIPROT P46098 HTR3A

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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