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
OFLOXACIN

OFLOXACIN


ATC J01MA01
ATC S01AE01
ATC S02AA16
ATC J01RA09

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
DNA TOPOISOMERASE IV INHIBITOR
DNA GYRASE INHIBITOR
QUINOLONES

ORAL OPHTHALMIC INJECTION OTIC

Cmax 8 MICROMOLAR (400 MILLIGRAM)

Tmax 1.5 HOUR

F 98 PERCENT

VD 104 LITER (65 KILOGRAM)

PPB 32 PERCENT

Cl 9.7 LITER / HOUR (65 KILOGRAM)

HT 4.5 HOUR (ONE DOSE)

SOLUBILITY SLIGHTLY SOLUBLE IN AQUEOUS SOLUTIONS WITH PH 7

DNA TOPOISOMERASE 4
DNA GYRASE

PDB 2BML (OFLOXACIN-LIKE ANTIBIOTICS INHIBIT PNEUMOCOCCAL CELL WALL DEGRADING VIRULENCE FACTORS)

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

Download experimental 3D coordinates of XED 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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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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