Cheminformatic Tools and Databases for Pharmacology

session 31749 - Total of 2 hits - Display   hits per page:

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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
ALATROFLOXACIN DISCONTINUED (has an active metabolite)

ALATROFLOXACIN


ATC J01MA13

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
FLUOROQUINOLONE

INJECTION DNA GYRASE SUBUNIT A
DNA TOPOISOMERASE 4 SUBUNIT A
DNA TOPOISOMERASE 2-ALPHA

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

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
TROVAFLOXACIN DISCONTINUED (is an active metabolite)

TROVAFLOXACIN


ATC J01MA13

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
FLUOROQUINOLONES

ORAL

Cmax 2.4 MICROMOLAR (100 MILLIGRAM)

VD 84.5 LITER (65 KILOGRAM)

PPB 76 PERCENT

Cl 5.4 LITER / HOUR (65 KILOGRAM)

HT 9 HOUR

DNA GYRASE SUBUNIT A
DNA TOPOISOMERASE 4 SUBUNIT A
DNA TOPOISOMERASE 2-ALPHA

PDB 4Z53 (QUINOLONE(TROVAFLOXACIN)-DNA CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM S. PNEUMONIAE)

LIGAND CODE = TR6 (link to the list of PDB complexes)

Download experimental 3D coordinates of TR6 with added hydrogens

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

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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