Cheminformatic Tools and Databases for Pharmacology

session 81590 - 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
FIDAXOMICIN (has an active metabolite)

FIDAXOMICIN


ATC A07AA12

ANTIINFECTIVES
MACROLIDE
TREATMENT OF CLOSTRIDIUM DIFFICILE-ASSOCIATED DIARRHEA
INHIBITOR RNA SYNTHESIS BY RNA POLYMERASES

ORAL

Cmax 4.9 NANOMOLAR (200 MILLIGRAM)

Tmax 2 HOUR

HT 11.7 HOUR

BETA SUBUNIT OF RNA POLYMERASE

PDB 6BZO (MTB RNAP HOLO/RBPA/FIDAXOMICIN/UPSTREAM FORK DNA)

LIGAND CODE = FI8 (link to the list of PDB complexes)

Download experimental 3D coordinates of FI8 with added hydrogens

DNA-DIRECTED RNA POLYMERASE INHIBITOR CHEMBL2363852 DNA-DIRECTED RNA POLYMERASE Q182S6 DNA-DIRECTED RNA POLYMERASE SUBUNIT OMEGA CLOSTRIDIUM DIFFICILE ENZYME TRANSFERASEANSM (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
M FIDAXOMICIN (is an active metabolite)

FIDAXOMICIN


ATC A07AA12

ANTIINFECTIVES
MACROLIDE
TREATMENT OF CLOSTRIDIUM DIFFICILE-ASSOCIATED DIARRHEA
INHIBITOR RNA SYNTHESIS BY RNA POLYMERASES

-

Cmax 12.1 NANOMOLAR (200 MILLIGRAM)

Tmax 1.02 HOUR

HT 11.2 HOUR

BETA SUBUNIT OF RNA POLYMERASE

DNA-DIRECTED RNA POLYMERASE INHIBITOR CHEMBL2363852 DNA-DIRECTED RNA POLYMERASE Q182S6 DNA-DIRECTED RNA POLYMERASE SUBUNIT OMEGA CLOSTRIDIUM DIFFICILE ENZYME TRANSFERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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