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
MOXIFLOXACIN

MOXIFLOXACIN


ATC J01MA14
ATC S01AE07

ANTIINFECTIVE
FLUOROQUINOLONE ANTIBACTERIAL
ANTIBIOTIC
QUINOLONES

ORAL INTRAVENOUS OPHTHALMIC

Cmax 10.8 MICROMOLAR

Tmax 2 HOUR

F 90 PERCENT

VD 143 LITER (65 KILOGRAM)

PPB 40 PERCENT

Cl 12 LITER / HOUR

HT 12.7 HOUR

TOPOISOMERASE II (DNA GYRASE)
TOPOISOMERASE 4

PDB 5CDQ (2.95A STRUCTURE OF MOXIFLOXACIN WITH S.AUREUS DNA GYRASE AND DNA)

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

Download experimental 3D coordinates of MFX with added hydrogens

BACTERIAL DNA GYRASE INHIBITOR CHEMBL2311224 BACTERIAL DNA GYRASE P0AES4 DNA GYRASE SUBUNIT A BACTERIA ENZYME ISOMERASEANSM (in French)

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