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
CODEINE

CODEINENATURAL MOLECULE (link)


ATC R05DA04
ATC N02AA59
ATC N02AA79
ATC N02AJ07
ATC N02AJ08
ATC N02AJ09
ATC N02AJ06

NERVOUS SYSTEM
ANALGESICS
ANTITUSSIVES
NARCOTICS
OPIATE AGONISTS

ORAL

Cmax 662.2 NANOMOLAR

Tmax 1 HOUR

VD 292.5 LITER (65 KILOGRAM)

PPB 16 PERCENT

Cl 58.5 LITER / HOUR (65 KILOGRAM)

HT 2.9 HOUR

SOLUBILITY SOLUBLE IN WATER

OPIOID RECEPTOR

OPIOID RECEPTORS MU/KAPPA/DELTA AGONIST CHEMBL2095181 OPIOID RECEPTORS MU/KAPPA/DELTA P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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