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
ADENOSINE

ADENOSINENATURAL MOLECULE (link)


ATC C01EB10

CARDIOVASCULAR
ANTI-ARRHYTHMIA AGENTS
VASODILATOR AGENTS
ADENOSINE PRODUCES A DIRECT NEGATIVE CHRONOTROPIC, DROMOTROPIC AND INOTROPIC EFFECT ON THE HEART

INJECTION INTRAVENOUS

SOLUBILITY SOLUBLE IN WATER

A1 AND A2 ADENOSINE RECEPTOR
ADENOSINE DEAMINASE
ADENOSINE KINASE

PDB 4OGR (CRYSTAL STRUCTURE OF P-TEFB COMPLEX WITH AFF4 AND TAT)

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

Download experimental 3D coordinates of ADN with added hydrogens

ADENOSINE RECEPTOR AGONIST CHEMBL2111329 ADENOSINE RECEPTOR P0DMS8 ADENOSINE RECEPTOR A3 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL NUCLEOTIDE-LIKE RECEPTOR ADENOSINE RECEPTORANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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