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
GUAIFENESIN (is an active metabolite)

GUAIFENESIN


ATC R05CA03

RESPIRATORY SYSTEM
MUCOLYTIC
EXPECTORANTS

ORAL

Cmax 18.6 MICROMOLAR

Tmax 0.33 HOUR

HT 1 HOUR

SOLUBILITY 1 GRAM IN 20 MILLILITER IN WATER

Unknown

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
GUAIFENESIN (is an active metabolite)

GUAIFENESIN


ATC R05CA03

RESPIRATORY SYSTEM
MUCOLYTIC
EXPECTORANTS

ORAL

Unknown

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
METHOCARBAMOL (has an active metabolite)

METHOCARBAMOL


ATC M03BA03
ATC M03BA53
ATC M03BA73

MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANT
SEDATIVE
CARBAMATE DERIVATIVE OF GUAIFENESIN

ORAL IM INJECTION

Cmax 96 MICROMOLAR

VD 150 LITER (EQN)

PPB 50 PERCENT

Cl 52 LITER / HOUR (65 KILOGRAM)

HT 2 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

Carbonic anhydrase 1 UNIPROT P00915 CA1

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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
METHOCARBAMOL (has an active metabolite)

METHOCARBAMOL


ATC M03BA03
ATC M03BA53
ATC M03BA73

MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANT
SEDATIVE
CARBAMATE DERIVATIVE OF GUAIFENESIN

ORAL IM INJECTION

Cmax 96 MICROMOLAR

VD 150 LITER (EQN)

PPB 50 PERCENT

Cl 52 LITER / HOUR (65 KILOGRAM)

HT 2 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

Carbonic anhydrase 1 UNIPROT P00915 CA1

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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