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
FENFLURAMINE (has an active metabolite)

FENFLURAMINE


ATC A08AA02

NERVOUS SYSTEM
TREATMENT OF SEIZURES ASSOCIATED WITH DRAVET SYNDROME
INCREASE EXTRACELLULAR LEVELS OF SEROTONIN THROUGH INTERACTION WITH SEROTONIN TRANSPORTER PROTEINS
EXHIBIT AGONIST ACTIVITY AT SEROTONIN 5HT-2 RECEPTORS

ORAL

Cmax 294.2 NANOMOLAR

Tmax 4.5 HOUR

F 71 PERCENT

VD 773.5 LITER (65 KILOGRAM)

PPB 50 PERCENT

Cl 24.8 LITER / HOUR

HT 20 HOUR

SEROTONIN TRANSPORTER

Alpha-2C adrenergic receptor P18825 (ADA2C_HUMAN)ANSM (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
M FENFLURAMINE (is an active metabolite)

FENFLURAMINE


ATC A08AA02

NERVOUS SYSTEM
TREATMENT OF SEIZURES ASSOCIATED WITH DRAVET SYNDROME
INCREASE EXTRACELLULAR LEVELS OF SEROTONIN THROUGH INTERACTION WITH SEROTONIN TRANSPORTER PROTEINS
EXHIBIT AGONIST ACTIVITY AT SEROTONIN 5HT-2 RECEPTORS

- SEROTONIN TRANSPORTER

Alpha-1B adrenergic receptor P35368ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

3 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 FENFLURAMINE (is an active metabolite)

FENFLURAMINE


ATC A08AA02

NERVOUS SYSTEM
TREATMENT OF SEIZURES ASSOCIATED WITH DRAVET SYNDROME
INCREASE EXTRACELLULAR LEVELS OF SEROTONIN THROUGH INTERACTION WITH SEROTONIN TRANSPORTER PROTEINS
EXHIBIT AGONIST ACTIVITY AT SEROTONIN 5HT-2 RECEPTORS

- SEROTONIN TRANSPORTER

Alpha-1B adrenergic receptor P35368ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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