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
BALSALAZIDE (has an active metabolite)

BALSALAZIDE


ATC A07EC04

METABOLISM
ANTIULCERATIVE
ANTI-INFLAMMATORY AGENTS NON-STEROIDAL
GASTROINTESTINAL AGENTS
PROSTAGLANDIN G/H SYNTHASE INHIBITOR

ORAL

Cmax 1.42 MICROMOLAR (3 TIMES 750 MILLIGRAM)

Tmax 0.8 HOUR

PPB 99 PERCENT

HT 1.9 HOUR (SINGLE DOSE)

SOLUBILITY FREELY SOLUBLE IN WATER

PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2
BACTERIAL NADPH AZOREDUCTASE

ARACHIDONATE 5-LIPOXYGENASE INHIBITOR CHEMBL215 ARACHIDONATE 5-LIPOXYGENASE P09917 ARACHIDONATE 5-LIPOXYGENASE HOMO SAPIENS ENZYME REDUCTASEEMA

ANSM (in French)

Inxight Drugs
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
MESALAMINE (is an active metabolite)

MESALAMINE


ATC A07EC02

METABOLISM
ANTIINFLAMMATORY
IT IS POSSIBLE THAT IT DIMINISHES INFLAMMATION BY BLOCKING PRODUCTION OF ARACHIDONIC ACID METABOLITES
INHIBITOR OF CYCLOOXYGENASE
MAINTENANCE OF REMISSION OF ULCERATIVE COLITIS

RECTAL ORAL

Cmax 17.6 MICROMOLAR

Tmax 6 HOUR

F 28 PERCENT

VD 21.4 LITER (65 KILOGRAM)

PPB 43 PERCENT

Cl 36.2 LITER / HOUR (65 KILOGRAM)

HT 1 HOUR

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

ARACHIDONATE 5-LIPOXYGENASE INHIBITOR CHEMBL215 ARACHIDONATE 5-LIPOXYGENASE P09917 ARACHIDONATE 5-LIPOXYGENASE HOMO SAPIENS ENZYME REDUCTASEEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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