Cheminformatic Tools and Databases for Pharmacology

session 9878 - Total of 5 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
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 REDUCTASEANSM (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
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 REDUCTASEANSM (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
OLSALAZINE (has an active metabolite)

OLSALAZINE


ATC A07EC03

METABOLISM
ANTIINFLAMMATORY
GASTROINTESTINAL AGENTS
TREATMENT OF ULCERATIVE COLITIS

ORAL

Cmax 6.2 MICROMOLAR

Tmax 1 HOUR

F 2.4 PERCENT

VD 4.5 LITER (65 KILOGRAM)

PPB 99 PERCENT

Cl 4.6 LITER / HOUR (65 KILOGRAM)

HT 0.9 HOUR

SOLUBILITY SOLUBLE IN WATER

ARACHIDONATE 5-LIPOXYGENASE INHIBITOR CHEMBL215 ARACHIDONATE 5-LIPOXYGENASE P09917 ARACHIDONATE 5-LIPOXYGENASE HOMO SAPIENS ENZYME REDUCTASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

4 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
SULFAPYRIDINE DISCONTINUED (is an active metabolite)

SULFAPYRIDINE


ATC J01EB04

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL

ORAL

PDB 4HWK (CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX WITH SULFAPYRIDINE)

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

Download experimental 3D coordinates of SFY with added hydrogens

BACTERIAL DIHYDROPTEROATE SYNTHASE INHIBITOR CHEMBL2364668 BACTERIAL DIHYDROPTEROATE SYNTHASE P0AC13 DIHYDROPTEROATE SYNTHASE BACTERIA ENZYME TRANSFERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

5 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
SULFASALAZINE (has an active metabolite)

SULFASALAZINE


ATC A07EC01

METABOLISM
ANTIINFLAMMATORY
TREATMENT OF MILD TO MODERATE ULCERATIVE COLITIS
INTERFERENCE WITH TETRAHYDROBIOPTERIN METABOLISM (BINDS SEPIAPTERIN REDUCTASE (SPR)(PMID21499265))

ORAL

Cmax 15 MICROMOLAR

Tmax 6 HOUR

F 15 PERCENT

VD 7.5 LITER

PPB 99.3 PERCENT

Cl 1 LITER / HOUR

HT 7.6 HOUR

ARACHIDONATE 5-LIPOXYGENASE INHIBITOR CHEMBL215 ARACHIDONATE 5-LIPOXYGENASE P09917 ARACHIDONATE 5-LIPOXYGENASE HOMO SAPIENS ENZYME REDUCTASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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