Cheminformatic Tools and Databases for Pharmacology

session 35476 - Total of 3 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
DROXIDOPA (has an active metabolite)

DROXIDOPA


ATC C01CA27

CARDIOVASCULAR
TREATMENT OF ORTHOSTATIC DIZZINESS AND LIGHTHEADEDNESS
SYNTHETIC AMINO ACID PRECURSOR OF NOREPINEPHRINE
SUBSTRATE OF DOPA-DECARBOXYLASE

ORAL

Tmax 2 HOUR

VD 200 LITER

PPB 75 PERCENT

Cl 55.4 LITER / HOUR (EQN)

HT 2.5 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

DOPA-DECARBOXYLASE

ADRENERGIC RECEPTOR AGONIST CHEMBL2331074 ADRENERGIC RECEPTOR P07550 BETA-2 ADRENERGIC RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ADRENERGIC RECEPTORANSM (in French)

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
EPHEDRINE (has an active metabolite)

EPHEDRINENATURAL MOLECULE (link)


ATC R01AA03
ATC C01CA26
ATC R01AB05
ATC R03CA02
ATC S01FB02
ATC A08AA56

RESPIRATORY
SYMPATHOMIMETIC
ALPHA AND BETA ADRENERGIC AGONIST
NOREPINEPHRINE RELEASING AGENT
TREATMENT OF CLINICALLY IMPORTANT HYPOTENSION OCCURRING IN THE SETTING OF ANESTHESIA
METABOLIZED INTO NOREPHEDRINE

INTRAVENOUS

HT 6 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

ALPHA ADRENERGIC RECEPTOR
BETA ADRENERGIC RECEPTOR

GPCR ADRB2_HUMAN AGONIST P07550ANSM (in French)

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
NOREPINEPHRINE (is an active metabolite)

NOREPINEPHRINENATURAL MOLECULE (link)


ATC C01CA03

CARDIOVASCULAR
ADRENERGIC RECEPTOR AGONIST
SYMPATHOMIMETICS
VASOCONSTRICTOR AGENTS
PERIPHERAL VASOCONSTRICTOR (ALPHA-ADRENERGIC ACTION) AND AS AN INOTROPIC STIMULATOR OF THE HEART AND DILATOR OF CORONARY ARTERIES (BETA-ADRENERGIC ACTION)

INJECTION INTRAVENOUS

SOLUBILITY SPARINGLY SOLUBLE IN WATER

ADRENERGIC RECEPTORS

PDB 3HCD (CRYSTAL STRUCTURE OF HPNMT IN COMPLEX WITH NORADRENALINE AND ADOHCY)

LIGAND CODE = LNR (link to the list of PDB complexes)

Download experimental 3D coordinates of LNR with added hydrogens

ADRENERGIC RECEPTOR AGONIST CHEMBL2331074 ADRENERGIC RECEPTOR P07550 BETA-2 ADRENERGIC RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ADRENERGIC RECEPTORANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |