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
CARBENICILLIN DISCONTINUED (is an active metabolite)

CARBENICILLIN


ATC J01CA03

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
CELL WALL SYNTHESIS

INJECTION

VD 11 LITER (65 KILOGRAM)

PPB 48 PERCENT

Cl 7.4 LITER / HOUR (65 KILOGRAM)

HT 1.1 HOUR

PENICILLIN-BINDING PROTEINS

BACTERIAL PENICILLIN-BINDING PROTEIN INHIBITOR CHEMBL2354204 BACTERIAL PENICILLIN-BINDING PROTEIN P02918 PENICILLIN-BINDING PROTEIN 1A BACTERIA ENZYME PROTEASE SERINE UNCLASSIFIEDEMA

ANSM (in French)

Inxight Drugs
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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
ISOPROTERENOL

ISOPROTERENOL


ATC R03CB01
ATC C01CA02
ATC R03AB02
ATC R03AK02
ATC R03CB51

RESPIRATORY SYSTEM
BRONCHODILATOR
NON SELECTIVE BETA ADRENERGIC RECEPTOR AGONIST
SYMPATHOMIMETIC AMINE

INHALATION RECTAL SUBLINGUAL INJECTION

VD 97.5 LITER (65 KILOGRAM)

PPB 29 PERCENT

Cl 218.4 LITER / HOUR (65 KILOGRAM)

HT 0.41 HOUR

BETA ADRENERGIC RECEPTOR

ADRENERGIC RECEPTOR BETA AGONIST CHEMBL2094118 ADRENERGIC RECEPTOR BETA P07550 BETA-2 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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