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
DEXAMETHASONE PHOSPHATE (has an active metabolite)

DEXAMETHASONE PHOSPHATE


ATC A01AC02
ATC C05AA09
ATC D07AB19
ATC D07XB05
ATC D10AA03
ATC H02AB02
ATC R01AD03
ATC S01BA01
ATC S01CB01
ATC S02BA06
ATC S03BA01
ATC D07CB04
ATC S01CA01
ATC S02CA06
ATC S03CA01
ATC R01AD53

GLUCOCORTICOID
ANTIINFLAMMATORY

OPHTHALMIC TOPICAL OTIC INJECTION INHALATION NASAL GLUCOCORTICOID RECEPTOR

PDB 3TC5 (SELECTIVE TARGETING OF DISEASE-RELEVANT PROTEIN BINDING DOMAINS BY O-PHOSPHORYLATED NATURAL PRODUCT DERIVATIVES)

LIGAND CODE = 3T5 (link to the list of PDB complexes)

Download experimental 3D coordinates of 3T5 with added hydrogens

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

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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