Details of the Drug

General Information of Drug (ID: DMTQS9A)

Drug Name
Metaproterenol Sulfate
Synonyms
Metaproterenol; metaproterenol; ORCIPRENALINE; Alupent; 586-06-1; Orciprenalinum; Metaproterenol sulfate; Orciprenalina; Orciprenalinum [INN-Latin]; Orciprenalina [INN-Spanish]; Metaproterenol polistirex; Metaprel; Alotec; Prometa; Orciprenaline [INN]; CCRIS 9017; Orciprenaline (INN); EINECS 209-569-1; CHEMBL776; BRN 2807247; (RS)-1-(3,5-Dihydroxyphenyl)-2-isopropylaminoethanol; CHEBI:6792; 3,5-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol; 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol; Alupent; Orciprenaline
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Approved [1]
Affected Organisms
Humans and other mammals
ATC Code
R03AB03: Metaproterenol Sulfate
R03AB: Non-selective beta-adrenoreceptor agonists
R03A: ADRENERGICS, INHALANTS
R03: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R: RESPIRATORY SYSTEM
R03CB03: Metaproterenol Sulfate
R03CB: Non-selective beta-adrenoreceptor agonists
R03C: ADRENERGICS FOR SYSTEMIC USE
R03: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R: RESPIRATORY SYSTEM
R03CB03: Metaproterenol Sulfate
R03CB: Non-selective beta-adrenoreceptor agonists
R03C: ADRENERGICS FOR SYSTEMIC USE
R03: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
3		 Molecular Weight 520.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 12
ADMET Property
Bioavailability
The bioavailability of drug is 40% []
Half-life
The concentration or amount of drug in body reduced by one-half in 6 hours [2]
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C22H36N2O10S
IUPAC Name
5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol;sulfuric acid
Canonical SMILES
CC(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
InChI
InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
InChIKey
MKFFGUZYVNDHIH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
441333
CAS Number
5874-97-5
UNII
53QOG569E0
DrugBank ID
DB00816
TTD ID
D02UFG
VARIDT ID
DR00851
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor beta-2 (ADRB2) TT2CJVK ADRB2_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor beta-2 (ADRB2) DTT ADRB2 4.88E-01 -0.05 -0.12
Adrenergic receptor beta-2 (ADRB2) DTT ADRB2 7.10E-01 0.06 0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7250).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Male--female differences in the impact of beta-adrenoceptor stimulation on resistance to experimental metastasis: exploring the effects of age and ... J Neuroimmunol. 2008 Jan;193(1-2):113-9.