Cheminformatic Tools and Databases for Pharmacology

session 36141 - 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
DEFLAZACORT (has an active metabolite)

DEFLAZACORT


ATC H02AB13

HORMONES
CORTICOSTEROID
TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY (DMD)
PRODRUG
ANTI-INFLAMMATORY
IMMUNOSUPPRESSIVE

ORAL

Tmax 1 HOUR

GLUCOCORTICOID RECEPTOR

Unknown - more at DrugCentralANSM (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 DEFLAZACORT (is an active metabolite)

DEFLAZACORT


ATC H02AB13

HORMONES
CORTICOSTEROID
TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY (DMD)
PRODRUG
ANTI-INFLAMMATORY
IMMUNOSUPPRESSIVE

-

PPB 40 PERCENT

GLUCOCORTICOID RECEPTOR

PDB 6W9L (STRUCTURE OF THE ANCESTRAL GLUCOCORTICOID RECEPTOR 2 LIGAND BINDING DOMAIN IN COMPLEX WITH DEACETYLATED DEFLAZACORT AND PGC1A COREGULATOR FRAGMENT)

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

Download experimental 3D coordinates of TUS with added hydrogens

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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