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
PHENYLPROPANOLAMINE DISCONTINUED (is an active metabolite)

PHENYLPROPANOLAMINE


ATC R01BA01
ATC R01BA51

RESPIRATORY SYSTEM
APPETITE DEPRESSANTS
NASAL DECONGESTANTS
SYMPATHOMIMETICS
ALPHA-1 ADRENERGIC RECEPTOR PARTIAL AGONIST

ORAL

Cmax 1.5 MICROMOLAR (PMID2341583)

Tmax 1.47 HOUR

VD 206.7 LITER (65 KILOGRAM)

Cl 37 LITER / HOUR

HT 4.05 HOUR

ALPHA-1 ADRENERGIC RECEPTOR

PDB 3U6K (EF-TU (ESCHERICHIA COLI) IN COMPLEX WITH NVP-LDK733)

LIGAND CODE = BB8 (link to the list of PDB complexes)

Download experimental 3D coordinates of BB8 with added hydrogens

NOREPINEPHRINE TRANSPORTER RELEASING AGENT CHEMBL222 NOREPINEPHRINE TRANSPORTER P23975 SODIUM-DEPENDENT NORADRENALINE TRANSPORTER HOMO SAPIENS TRANSPORTER ELECTROCHEMICAL SLC SLC06ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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