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
METHYLDOPA (is an active metabolite)

METHYLDOPA


ATC C02AB01
ATC C02LB01
ATC C02AB02

CARDIOVASCULAR
ANTIHYPERTENSIVE
L-ISOMER OF ALPHA-METHYLDOPA
DOPA DECARBOXYLASE INHIBITOR TO DEPLETE ANIMAL TISSUES OF NOREPINEPHRINE
SYMPATHOLYTICS
PROBABLY IS DUE TO ITS METABOLISM TO ALPHA-METHYL-NOREPINEPHRINE WHICH THEN LOWERS ARTERIAL PRESSURE

ORAL

VD 44.8 LITER (65 KILOGRAM)

PPB 15 PERCENT

Cl 13.6 LITER / HOUR (65 KILOGRAM)

HT 1.8 HOUR

SOLUBILITY SOLUBLE IN WATER

DOPA DECARBOXYLASE

ADRENERGIC RECEPTOR ALPHA-2 AGONIST CHEMBL2095158 ADRENERGIC RECEPTOR ALPHA-2 P08913 ALPHA-2A ADRENERGIC RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ADRENERGIC RECEPTOREMA

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
METHYLDOPATE DISCONTINUED (has an active metabolite)

METHYLDOPATE


ATC C02AB01
ATC C02LB01
ATC C02AB02

CARDIOVASCULAR
ALKALOID
ANTIHYPERTENSIVE

INJECTION DOPA DECARBOXYLASE

ADRENERGIC RECEPTOR ALPHA-2 AGONIST CHEMBL2095158 ADRENERGIC RECEPTOR ALPHA-2 P08913 ALPHA-2A ADRENERGIC RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ADRENERGIC RECEPTOREMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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