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
M TRAVOPROST (is an active metabolite)

TRAVOPROST


ATC S01EE04

SENSORY
ANTIHYPERTENSIVE
ANTIGLAUCOMA
OPHTHALMOLOGICALS
PROSTAGLANDIN ANALOGUES
FP PROSTANOID RECEPTOR AGONIST

-

Cmax 0.04 NANOMOLAR

Tmax 0.5 HOUR

HT 0.75 HOUR

FP PROSTANOID RECEPTOR

PROSTANOID FP RECEPTOR AGONIST CHEMBL1987 PROSTANOID FP RECEPTOR P43088 PROSTAGLANDIN F2-ALPHA RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL LIPID-LIKE LIGAND RECEPTOR PROSTANOID RECEPTOREMA

ANSM (in French)

Inxight Drugs
Dailymed
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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
TRAVOPROST (has an active metabolite)

TRAVOPROST


ATC S01EE04

SENSORY
ANTIHYPERTENSIVE
ANTIGLAUCOMA
OPHTHALMOLOGICALS
PROSTAGLANDIN ANALOGUES
FP PROSTANOID RECEPTOR AGONIST
HYDROLYZED TO THE ACTIVE FREE ACID

OPHTHALMIC

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

FP PROSTANOID RECEPTOR

PROSTANOID FP RECEPTOR AGONIST CHEMBL1987 PROSTANOID FP RECEPTOR P43088 PROSTAGLANDIN F2-ALPHA RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL LIPID-LIKE LIGAND RECEPTOR PROSTANOID RECEPTOREMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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