Cheminformatic Tools and Databases for Pharmacology

session 50826 - Total of 3 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
PREDNISOLONE (is an active metabolite)

PREDNISOLONE


ATC A07EA01
ATC C05AA04
ATC D07AA03
ATC D07XA02
ATC H02AB06
ATC R01AD02
ATC S01BA04
ATC S01CB02
ATC S02BA03
ATC S03BA02
ATC D07CA03
ATC S01CA02
ATC S02CA01
ATC S03CA02
ATC D07BA01
ATC S01BB02
ATC V03AB05
ATC A01AC54
ATC R01AD52

METABOLISM
GLUCOCORTICOID
ADRENOCORTICAL STEROID
ANTIINFLAMMATORY

ORAL TOPICAL OPHTHALMIC OTIC INJECTION

Cmax 1.28 MICROMOLAR

Tmax 1.5 HOUR

VD 29.9 LITER (65 KILOGRAM)

PPB 80 PERCENT

Cl 11.3 LITER / HOUR (65 KILOGRAM)

HT 2.5 HOUR

SOLUBILITY VERY SLIGHTLY SOLUBLE IN WATER

GLUCOCORTICOID RECEPTOR

PDB 6W9K (STRUCTURE OF THE ANCESTRAL GLUCOCORTICOID RECEPTOR 2 LIGAND BINDING DOMAIN IN COMPLEX WITH PREDNISOLONE AND PGC1A COREGULATOR FRAGMENT)

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

Download experimental 3D coordinates of TUA with added hydrogens

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

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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
PREDNISOLONE ACETATE (has an active metabolite)

PREDNISOLONE ACETATE


ATC A07EA01
ATC C05AA04
ATC D07AA03
ATC D07XA02
ATC H02AB06
ATC R01AD02
ATC S01BA04
ATC S01CB02
ATC S02BA03
ATC S03BA02
ATC D07CA03
ATC S01CA02
ATC S02CA01
ATC S03CA02
ATC D07BA01
ATC S01BB02
ATC V03AB05
ATC A01AC54
ATC R01AD52

METABOLISM
GLUCOCORTICOID
ADRENOCORTICAL STEROID
ANTIINFLAMMATORY

OPHTHALMIC INJECTION ORAL

SOLUBILITY INSOLUBLE IN WATER

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

3 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
PREDNISOLONE TEBUTATE DISCONTINUED (has an active metabolite)

PREDNISOLONE TEBUTATE


ATC A07EA01
ATC C05AA04
ATC D07AA03
ATC D07XA02
ATC H02AB06
ATC R01AD02
ATC S01BA04
ATC S01CB02
ATC S02BA03
ATC S03BA02
ATC D07CA03
ATC S01CA02
ATC S02CA01
ATC S03CA02
ATC D07BA01
ATC S01BB02
ATC V03AB05
ATC A01AC54
ATC R01AD52

ANTI-INFLAMMATORY
GLUCOCORTICOID
ANTINEOPLASTIC
ADRENERGIC
CORTICOSTEROIDS

INJECTION 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



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