Cheminformatic Tools and Databases for Pharmacology

session 8012 - 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
MOMETASONE (is an active metabolite)

MOMETASONE


ATC D07AC13
ATC D07XC03
ATC R01AD09
ATC R03BA07
ATC R03AK09
ATC R03AK14
ATC R03AL12

RESPIRATORY
ANTI-ALLERGIC AGENTS
ANTI-INFLAMMATORY AGENTS

- GLUCOCORTICOID RECEPTOR

GLUCOCORTICOID RECEPTOR AGONIST CHEMBL2034 GLUCOCORTICOID RECEPTOR P04150 GLUCOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C1ANSM (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
MOMETASONE FUROATE (has an active metabolite)

MOMETASONE FUROATE


ATC D07AC13
ATC R03AK09
ATC D07XC03
ATC R01AD09
ATC R03BA07
ATC R03AK14
ATC R03AL12

METABOLISM
ANTI-ALLERGIC AGENTS
ANTI-INFLAMMATORY AGENTS

TOPICAL NASAL INHALATION IMPLANTATION

Cmax 218.8 PICOMOLAR

Tmax 1.75 HOUR

VD 152 LITER

PPB 98.5 PERCENT

Cl 48.7 LITER / HOUR (65 KILOGRAM)

HT 5.8 HOUR

SOLUBILITY INSOLUBLE IN WATER

GLUCOCORTICOID RECEPTOR

PDB 4P6W (CRYSTAL STRUCTURE OF MOMETASONE FUROATE-BOUND GLUCOCORTICOID RECEPTOR LIGAND BINDING DOMAIN)

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

Download experimental 3D coordinates of MOF with added hydrogens

GLUCOCORTICOID RECEPTOR AGONIST CHEMBL2034 GLUCOCORTICOID RECEPTOR P04150 GLUCOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C1ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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