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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL605846
CHEMBL605846
Compound Name OLODATEROL
ChEMBL Synonyms OLODATEROL | BI 1744 CL | OLODATEROL HYDROCHLORIDE | BI 1744 | STRIVERDI RESPIMAT
Max Phase 4 (Approved)
Trade Names STRIVERDI RESPIMAT
Molecular Formula C21H26N2O5

Additional synonyms for CHEMBL605846 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1
Standard InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-1 ...
Download InChI
Standard InChI Key COUYJEVMBVSIHV-SFHVURJKSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL605846

Molecule Features

CHEMBL605846 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Beta-2 adrenergic receptor agonist Beta-2 adrenergic receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Liver DiseasesD008107EFO:0001421liver disease1ClinicalTrials
Lung Diseases, ObstructiveD008173HP:0006536obstructive lung disease4ATC
EmphysemaD004646EFO:0000464emphysema4DailyMed
AsthmaD001249EFO:0000270asthma2ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease4ClinicalTrials
DailyMed

Clinical Data

ClinicalTrials.gov OLODATEROL
The Cochrane Collaboration OLODATEROL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL605846. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.888

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.733

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
386.5 386.1842 2.38 7 100.05 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.42 9.06 2.55 .86 2 28 0.58

Structural Alerts

There are no structural alerts for CHEMBL605846

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03A - ADRENERGICS, INHALANTS
R03AC - Selective beta-2-adrenoreceptor agonists
R03AC19 - olodaterol

ChemSpider ChemSpider:COUYJEVMBVSIHV-SFHVURJKSA-N
DailyMed olodaterol hydrochloride
Wikipedia Olodaterol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL605846



ChEBI 82700
ChemicalBook CB52484977
DrugBank DB09080
DrugCentral 4814
FDA SRS VD2YSN1AFD
Guide to Pharmacology 7543
IBM Patent System 18114C98F0398ADD169171FE7870AAC0
Nikkaji J3.100.561B
PubChem 11504295
PubChem: Thomson Pharma 16684268
SureChEMBL SCHEMBL560926
ZINC ZINC000034636383

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/COUYJEVMBVSIHV-SFHVURJKSA-N spacer
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