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 REVEFENACIN (is an active metabolite)

REVEFENACIN


ATC R03BB08

RESPIRATORY
TREATMENT OF PATIENTS WITH CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD)
ANTICHOLINERGIC
MUSCARINIC ANTAGONIST LEADING TO BRONCHODILATION

-

Cmax 0.33 NANOMOLAR

Tmax 0.45 HOUR

PPB 42 PERCENT

HT 46 HOUR

MUSCARINIC RECEPTORS M1 TO M5

Muscarinic acetylcholine receptor M1 P11229EMA

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
REVEFENACIN (has an active metabolite)

REVEFENACIN


ATC R03BB08

RESPIRATORY
TREATMENT OF PATIENTS WITH CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD)
ANTICHOLINERGIC
MUSCARINIC ANTAGONIST LEADING TO BRONCHODILATION

INHALATION

Cmax 0.26 NANOMOLAR

Tmax 0.45 HOUR

F 3 PERCENT (INHALATION COMPARED TO ORAL)

VD 218 LITER

PPB 71 PERCENT

HT 46 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

MUSCARINIC RECEPTORS M1 TO M5

Muscarinic acetylcholine receptor M1 P11229EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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