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
METHACHOLINE

METHACHOLINE


ATC V04CX03

BRONCHOCONSTRICTOR AGENT
RESPIRATORY SYSTEM
CHOLINERGIC
INHALATION DIAGNOSTIC CHALLENGE (SUBJECT WITH ASTHM ARE MORE SENSITIVE THAN HEALTHY SUBJECTS)
MORE SLOWLY HYDROLYZED BY ACETYLCHOLINESTERASES THAN ACETYLCHOLINE
ACETYLCHOLINE ANALOG THAT INDUCES BRONCHOCONSTRICTION

INHALATION

SOLUBILITY SOLUBLE IN WATER

PDB 7ECQ (CRYSTAL STRUCTURE OF FAM3A)

LIGAND CODE = J0R (link to the list of PDB complexes)

Download experimental 3D coordinates of J0R with added hydrogens

Muscarinic acetylcholine receptor M3 UNIPROT P20309 CHRM3

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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