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
DIFENOXIN (is an active metabolite)

DIFENOXIN


ATC A07DA04

METABOLISM
ANTIPERISTALTIC
ANTIDIARRHEAL AGENT
CHEMICALLY RELATED TO THE NARCOTIC MEPERIDINE
INHIBIT NET FLUID SECRETION BY INDIRECT MECHANISMS (PMID8386327)

ORAL

Cmax 377 NANOMOLAR

Tmax 0.83 HOUR

HT 13 HOUR

MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR AGONIST CHEMBL233 MU OPIOID RECEPTOR 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

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
DIPHENOXYLATE (has an active metabolite)

DIPHENOXYLATE


ATC A07DA01

METABOLISM
ANTIPERISTALTIC
NARCOTICS
ADJUNCTIVE THERAPY IN THE MANAGEMENT OF DIARRHEA

ORAL

F 90 PERCENT

MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR AGONIST CHEMBL233 MU OPIOID RECEPTOR 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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