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
METHYL SALICYLATE (has an active metabolite)

METHYL SALICYLATENATURAL MOLECULE (link)


ATC N02BA01
ATC A01AD05
ATC B01AC06
ATC M01BA03
ATC N02BA51
ATC B01AC56
ATC N02BA71
ATC C10BX08
ATC C10BX12
ATC C10BX06
ATC C07FX04
ATC N02AJ07
ATC N02AJ02
ATC C07FX03
ATC N02AJ18
ATC C10BX02
ATC C10BX05
ATC C10BX01
ATC C10BX04
ATC C07FX02

NERVOUS SYSTEM
ANALGESIC
CYCLOOXYGENASE INHIBITORS

TOPICAL PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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