Tulobuterol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Tulobuterol
Accession Number
DB12248
Type
Small Molecule
Groups
Investigational
Description

Tulobuterol has been used in trials studying the treatment of Chronic Obstructive Pulmonary Disease.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Tulobuterol HydrochlorideVNC12181T056776-01-3RSLNRVYIRDVHLY-UHFFFAOYSA-N
Categories
UNII
591I9SU0F7
CAS number
41570-61-0
Weight
Average: 227.73
Monoisotopic: 227.1076919
Chemical Formula
C12H18ClNO
InChI Key
YREYLAVBNPACJM-UHFFFAOYSA-N
InChI
InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3
IUPAC Name
2-(tert-butylamino)-1-(2-chlorophenyl)ethan-1-ol
SMILES
CC(C)(C)NCC(O)C1=CC=CC=C1Cl

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UBeta-2 adrenergic receptorNot AvailableHuman
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcebutololThe therapeutic efficacy of Tulobuterol can be decreased when used in combination with Acebutolol.
AcepromazineAcepromazine may decrease the vasoconstricting activities of Tulobuterol.
AlfuzosinAlfuzosin may decrease the vasoconstricting activities of Tulobuterol.
AmitriptylineAmitriptyline may decrease the vasoconstricting activities of Tulobuterol.
AmoxapineThe therapeutic efficacy of Tulobuterol can be decreased when used in combination with Amoxapine.
AripiprazoleAripiprazole may decrease the vasoconstricting activities of Tulobuterol.
AsenapineAsenapine may decrease the vasoconstricting activities of Tulobuterol.
Benzylpenicilloyl PolylysineTulobuterol may decrease effectiveness of Benzylpenicilloyl Polylysine as a diagnostic agent.
BetaxololThe therapeutic efficacy of Tulobuterol can be decreased when used in combination with Betaxolol.
BevantololBevantolol may decrease the vasoconstricting activities of Tulobuterol.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
5606
PubChem Substance
347828525
ChemSpider
5404
BindingDB
50421717
ChEBI
93856
ChEMBL
CHEMBL1159717
Wikipedia
Tulobuterol
ATC Codes
R03AC11 — TulobuterolR03CC11 — Tulobuterol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusTreatmentChronic Obstructive Pulmonary Disease (COPD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.366 mg/mLALOGPS
logP2.95ALOGPS
logP2.56ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)13.9ChemAxon
pKa (Strongest Basic)9.55ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area32.26 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity63.88 m3·mol-1ChemAxon
Polarizability24.53 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Chlorobenzenes
Alternative Parents
Aralkylamines / Aryl chlorides / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives / Aromatic alcohols
Substituents
Chlorobenzene / Aralkylamine / Aryl chloride / Aryl halide / Secondary alcohol / 1,2-aminoalcohol / Secondary amine / Secondary aliphatic amine / Organic oxygen compound / Aromatic alcohol
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Protein homodimerization activity
Specific Function
Beta-adrenergic receptors mediate the catecholamine-induced activation of adenylate cyclase through the action of G proteins. The beta-2-adrenergic receptor binds epinephrine with an approximately ...
Gene Name
ADRB2
Uniprot ID
P07550
Uniprot Name
Beta-2 adrenergic receptor
Molecular Weight
46458.32 Da
References
  1. Burioka N, Takata M, Endo M, Miyata M, Takeda K, Chikumi H, Tomita K, Fukuoka Y, Nakazaki H, Sano H, Shimizu E: Treatment with beta2-adrenoceptor agonist in vivo induces human clock gene, Per1, mRNA expression in peripheral blood. Chronobiol Int. 2007;24(1):183-9. [PubMed:17364588]
  2. Zhao XF, Huang JJ, Li Q, Wei LS, Zheng JB, Zheng XH, Li ZJ, Zhang YY: Revealing binding interaction between seven drugs and immobilized beta2-adrenoceptor by high-performance affinity chromatography using frontal analysis. J Mol Recognit. 2013 May;26(5):252-7. doi: 10.1002/jmr.2271. [PubMed:23526777]

Drug created on October 20, 2016 15:43 / Updated on August 02, 2018 06:36