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
FLIBANSERIN

FLIBANSERIN


ATC G02CX02

NERVOUS SYSTEM
TREATMENT OF PREMENOPAUSAL WOMEN WITH ACQUIRED GENERALIZED HYPOACTIVE SEXUAL DESIRE DISORDER (HSDD)
SEROTONIN RECEPTORS
5-HT1A AGONIST
5-HT2A ANTAGONIST
DOPAMINE D4, 5-HT2B AND 5-HT2C (ANTAGONIST WITH MODERATE AFFINITY)

ORAL

Cmax 1.07 MICROMOLAR

Tmax .075 HOUR

F 33 PERCENT

PPB 98 PERCENT

HT 11 HOUR

SOLUBILITY INSOLUBLE IN WATER

5-HT1A RECEPTOR
5-HT2A RECEPTOR

GPCR 5HT2A_HUMAN ANTAGONIST P28223 5HT1A_HUMAN AGONIST P08908ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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