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
ISOSORBIDE DINITRATE (has an active metabolite)

ISOSORBIDE DINITRATE


ATC C01DA08
ATC C05AE02
ATC C01DA58

CARDIOVASCULAR
VASODILATOR FROM THE RELEASE OF NITRIC OXIDE AND THE SUBSEQUENT ACTIVATION OF GUANYLYL CYCLASE AND ULTIMATE RELAXATION OF VASCULAR SMOOTH MUSCLE
ANTIANGINAL

ORAL SUBLINGUAL

Cmax 0.32 MICROMOLAR (40 MILLIGRAM)

F 25 PERCENT

VD 195 LITER

PPB 28 PERCENT

Cl 180 LITER / HOUR

HT 1 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

Soluble guanylate cyclase UNIPROT O75343 GUCY1B2

more at DrugCentral

EMA

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
ISOSORBIDE MONONITRATE (is an active metabolite) (has an active metabolite)

ISOSORBIDE MONONITRATE


ATC C01DA14

CARDIOVASCULAR
VASODILATOR FROM THE RELEASE OF NITRIC OXIDE

ORAL

Cmax 6.5 MICROMOLAR (60 MILLIGRAM)

F 100 PERCENT

VD 42.2 LITER

PPB 0 PERCENT

Cl 7 LITER / HOUR

HT 5 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

Soluble guanylate cyclase UNIPROT O75343 GUCY1B2

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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