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
RIFAPENTINE (has an active metabolite)

RIFAPENTINE


ATC J04AB05

ANTIINFECTIVES
TUBERCULOSTATIC
ANTIBIOTIC
RIFAMYCIN ANTIMYCOBACTERIALS
INHIBITS DNA-DEPENDENT RNA POLYMERASE

ORAL

Cmax 17.1 MICROMOLAR

Tmax 5.5 HOUR

F 70 PERCENT

VD 70 LITER

PPB 97.7 PERCENT

Cl 2.03 LITER / HOUR

HT 13 HOUR

DNA-DIRECTED RNA POLYMERASE

PDB 2A69 (CRYSTAL STRUCTURE OF THE T. THERMOPHILUS RNA POLYMERASE HOLOENZYME IN COMPLEX WITH ANTIBIOTIC RIFAPENTIN)

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

Download experimental 3D coordinates of RPT with added hydrogens

Bacterial DNA-directed RNA polymerase UNIPROT P0A7Z4 rpoA

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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