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
NORPROPOXYPHENE (is an active metabolite)

NORPROPOXYPHENE


ATC N02AC04
ATC N02AC54
ATC N02AC74

NERVOUS SYSTEM
ANALGESICS
OPIOID AGONIST
ANTITUSSIVES
NARCOTICS

-

Cmax 0.46 MICROMOLAR

HT 33 HOUR

SODIUM CHANNEL
HERG
OPIOID RECEPTOR

Mu-type opioid receptor UNIPROT P35372 OPRM1

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
PROPOXYPHENE DISCONTINUED (has an active metabolite)

PROPOXYPHENE


ATC N02AC04
ATC N02AC54
ATC N02AC74

NERVOUS SYSTEM
ANALGESICS
OPIOID AGONIST
ANTITUSSIVES
NARCOTICS

ORAL

Cmax 0.21 MICROMOLAR (65 MILLIGRAM)

Tmax 2.25 HOUR

VD 780 LITER (65 KILOGRAM)

PPB 80 PERCENT

Cl 58.5 LITER / HOUR (65 KILOGRAM)

HT 9 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

OPIOID RECEPTOR

Mu-type opioid receptor UNIPROT P35372 OPRM1

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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