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
PREDNICARBATE

PREDNICARBATE


ATC D07AC18

DERMATOLOGICAL
GLUCOCORTICOID
ANTIINFLAMMATORY
CORTICOSTEROID
STEROIDAL
ANTI-PRURITIC

TOPICAL

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

GLUCOCORTICOID RECEPTOR

GLUCOCORTICOID RECEPTOR AGONIST CHEMBL2034 GLUCOCORTICOID RECEPTOR P04150 GLUCOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C1EMA

ANSM (in French)

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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
SULFAMETHIZOLE DISCONTINUED

SULFAMETHIZOLE


ATC B05CA04
ATC D06BA04
ATC J01EB02
ATC S01AB01

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL

ORAL

SOLUBILITY SOLUBLE IN WATER

DIHYDROPTEROATE SYNTHASE

BACTERIAL DIHYDROPTEROATE SYNTHASE INHIBITOR CHEMBL2364668 BACTERIAL DIHYDROPTEROATE SYNTHASE P0AC13 DIHYDROPTEROATE SYNTHASE BACTERIA ENZYME TRANSFERASEEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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