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
PHENDIMETRAZINE (has an active metabolite)

PHENDIMETRAZINE

METABOLISM
ANOREXIGENIC
ANTIOBESITY
LOW-POTENCY MONOAMINE-UPTAKE INHIBITOR
PRODRUG FOR THE MONOAMINE-RELEASER PHENMETRAZINE (PM)

ORAL

HT 3.7 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

NORADRENALINE TRANSPORTER
DOPAMINE TRANSPORTER

Sodium-dependent noradrenaline transporter UNIPROT P23975 SLC6A2 -- Sodium-dependent dopamine transporter UNIPROT Q01959 SLC6A3

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
PHENMETRAZINE DISCONTINUED (is an active metabolite)

PHENMETRAZINE

NERVOUS SYSTEM
ANTIANOREXIC
APPETITE DEPRESSANTS
CNS AGENTS
SYMPATHOMIMETICS

ORAL NORADRENALINE TRANSPORTER
DOPAMINE TRANSPORTER

Sodium-dependent noradrenaline transporter UNIPROT P23975 SLC6A2 -- Sodium-dependent dopamine transporter UNIPROT Q01959 SLC6A3

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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