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
FESOTERODINE (has an active metabolite)

FESOTERODINE


ATC G04BD11

ANTISPASMODICS
ANTIMUSCARINIC
MUSCARINIC ANTAGONIST
OVERACTIVE BLADDER WITH SYMPTOMS OF URGE URINARY INCONTINENCE
URINARY ANTISPASMODICS
GENITO
HYDROLYSIS BY NONSPECIFIC ESTERASES

ORAL

SOLUBILITY FREELY SOLUBLE IN WATER

MUSCARINIC RECEPTOR ANTAGONIST

Muscarinic acetylcholine receptor M2 UNIPROT P08172 CHRM2 -- Muscarinic acetylcholine receptor M3 UNIPROT P20309 CHRM3

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
M FESOTERODINE (is an active metabolite)

FESOTERODINE


ATC G04BD11

ANTISPASMODICS
ANTIMUSCARINIC
MUSCARINIC ANTAGONIST
OVERACTIVE BLADDER WITH SYMPTOMS OF URGE URINARY INCONTINENCE
URINARY ANTISPASMODICS
GENITO
HYDROLYSIS BY NONSPECIFIC ESTERASES

-

Cmax 11.6 NANOMOLAR (8 MILLIGRAM)

Tmax 1.8 HOUR

F 52 PERCENT

VD 169 LITER

PPB 50 PERCENT

Cl 13.6 LITER / HOUR (EQN)

HT 8.59 HOUR

MUSCARINIC RECEPTOR

Muscarinic acetylcholine receptor M2 UNIPROT P08172 CHRM2 -- Muscarinic acetylcholine receptor M3 UNIPROT P20309 CHRM3

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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
TOLTERODINE (has an active metabolite)

TOLTERODINE


ATC G04BD07

GENITO
ANTICHOLINERGIC
ANTI-INCONTINENCE AGENTS
ANTISPASMODICS
GENITOURINARY SMOOTH MUSCLE RELAXANTS
MUSCARINIC RECEPTOR ANTAGONISTS

ORAL

Cmax 4.92 NANOMOLAR

Tmax 1.5 HOUR

VD 113 LITER

PPB 96.3 PERCENT

Cl 534 LITER / HOUR

HT 2 HOUR

SOLUBILITY IN WATER 12 MILLIGRAM / MILLILITER

MUSCARINIC ACETYLCHOLINE RECEPTOR

Muscarinic acetylcholine receptor M2 UNIPROT P08172 CHRM2 -- Muscarinic acetylcholine receptor M3 UNIPROT P20309 CHRM3

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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