Cheminformatic Tools and Databases for Pharmacology

session 17731 - Total of 2 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
AMINOSALICYLIC ACID (is an active metabolite)

AMINOSALICYLIC ACID
AMINOSALICYLATE


ATC J04AA01

ANTIINFECTIVES
ANTITUBERCULOSIS
ANTIBIOTIC
ANTIBACTERIAL
PRODUCTION OF A TOXIC INACTIVE METABOLITE

ORAL

Cmax 130.7 MICROMOLAR

Tmax 6 HOUR

VD 51.8 LITER

PPB 55 PERCENT

Cl 9.42 LITER / HOUR (PMID25114132)

HT 3.25 HOUR

DIHYDROFOLATE REDUCTASE (DHFR) (PMID26848874)

PDB 5X7Z (CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID)

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

Download experimental 3D coordinates of BHA with added hydrogens

CYCLOOXYGENASE INHIBITOR CHEMBL2094253 CYCLOOXYGENASE P23219 PROSTAGLANDIN G/H SYNTHASE 1 HOMO SAPIENS ENZYME REDUCTASEANSM (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
PHENYL AMINOSALICYLATE DISCONTINUED (has an active metabolite)

PHENYL AMINOSALICYLATE


ATC J04AA01

ANTIINFECTIVES
ANTIBACTERIAL (TUBERCULOSTATIC)
ANTIFUNGAL

ORAL DIHYDROFOLATE REDUCTASE (DHFR) (PMID26848874)

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |