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
DESLORATADINE (is an active metabolite) (has an active metabolite)

DESLORATADINE


ATC R06AX27

RESPIRATORY
HISTAMINE H1 RECEPTOR ANTAGONIST
ANTIHISTAMINE
CHOLINERGIC ANTAGONISTS

ORAL

Cmax 12.8 NANOMOLAR

Tmax 3 HOUR

PPB 84 PERCENT

HT 27 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

HISTAMINE H1 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)

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
LORATADINE (has an active metabolite)

LORATADINE


ATC R06AX13

RESPIRATORY SYSTEM
ANTIHISTAMINE
ANTI-ALLERGIC AGENTS
ANTIPRURITICS
HISTAMINE H1 ANTAGONISTS, NON-SEDATING

ORAL

Cmax 10 NANOMOLAR (PMID18621671)

Tmax 1.3 HOUR

PPB 98 PERCENT

HT 8.4 HOUR

SOLUBILITY NOT SOLUBLE IN WATER

HISTAMINE H1 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)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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