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
CLARITHROMYCIN

CLARITHROMYCIN


ATC J01FA09
ATC A02BD06
ATC A02BD07
ATC A02BD09
ATC A02BD05
ATC A02BD04
ATC A02BD11
ATC A02BD12
ATC A02BD14

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
MACROLIDES

ORAL

Cmax 5 MICROMOLAR

F 50 PERCENT

VD 97.5 LITER (65 KILOGRAM)

PPB 77 PERCENT

Cl 28.5 LITER / HOUR (65 KILOGRAM)

HT 6 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

50S RIBOSOMAL PROTEIN

PDB 5IGW (MACROLIDE 2'-PHOSPHOTRANSFERASE TYPE II - COMPLEX WITH GDP AND CLARITHROMYCIN)

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

Download experimental 3D coordinates of CTY with added hydrogens

BACTERIAL 70S RIBOSOME INHIBITOR CHEMBL2363135 BACTERIAL 70S RIBOSOME 23S RIBOSOMAL RNA BACTERIAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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