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
NALOXONE

NALOXONE


ATC V03AB15
ATC A06AH04
ATC N02AA53
ATC N02AA55

VARIOUS
ALKALOID
NARCOTIC ANTAGONIST
ANTINARCOTIC AGENTS
DEPRESSANTS
OPIATE ANTAGONISTS
RELIEF OF MODERATE TO SEVERE PAIN
TREATMENT OF OPIOID DEPENDANCE

INJECTION ORAL SUBLINGUAL BUCCAL INTRAMUSCULAR SUBCUTANEOUS NASAL

Cmax 0.85 NANOMOLAR

Tmax 0.81 HOUR

VD 110.5 LITER (65 KILOGRAM)

PPB 45 PERCENT

Cl 89.7 LITER / HOUR (65 KILOGRAM)

HT 6.25 HOUR

SOLUBILITY SOLUBLE IN WATER

MU-TYPE OPIOID RECEPTOR

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

Dailymed
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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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