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
LEVOFLOXACIN

LEVOFLOXACIN
OFLOXACIN


ATC J01MA12
ATC S01AE05
ATC J01RA05
ATC A02BD10

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
NUCLEIC ACID SYNTHESIS INHIBITORS
QUINOLONES

ORAL INJECTION OPHTHALMIC OTIC

Cmax 33.5 MICROMOLAR

Tmax 1.4 HOUR

F 99 PERCENT

VD 80 LITER

PPB 31 PERCENT

Cl 7.5 LITER / HOUR

HT 7.9 HOUR

SOLUBILITY OF 50 MILLIGRAM / MILLILITER IN WATER

DNA TOPOISOMERASE IV
DNA GYRASE

PDB 5EIX (QUINOLONE-STABILIZED CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM KLEBSIELLA PNEUMONIAE)

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

Download experimental 3D coordinates of LFX with added hydrogens

DNA GYRASE INHIBITOR CHEMBL2311225 DNA GYRASE P0A4L9 DNA GYRASE SUBUNIT B STREPTOCOCCUS PNEUMONIAE ENZYME ISOMERASEEMA

ANSM (in French)

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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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