Cheminformatic Tools and Databases for Pharmacology

session 52710 - 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
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)

Not determined at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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