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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256786
CHEMBL1256786
Compound Name FORMOTEROL
ChEMBL Synonyms FORADIL | Foradil | PERFORMIST | PERFOROMIST | EFORMOTEROL | CGP 25827A | FORADIL CERTIHALER | YM-08316 | FORMOTEROL FUMARATE DIHYDRATE | FORMOTEROL FUMARATE | FORMOTEROL | BD 40A
Max Phase 4 (Approved)
Trade Names FORADIL CERTIHALER | PERFORMIST | PERFOROMIST | FORADIL
Molecular Formula C19H24N2O4

Additional synonyms for CHEMBL1256786 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
Standard InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(2 ...
Download InChI
Standard InChI Key BPZSYCZIITTYBL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1256786

Molecule Features

CHEMBL1256786 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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 DailyMed FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ASTHMAD001249EFO:0000270ASTHMA4DailyMed
ClinicalTrials
DailyMed
DailyMed
PULMONARY DISEASE, CHRONIC OBSTRUCTIVED029424EFO:0000341CHRONIC OBSTRUCTIVE PULMONARY DISEASE4DailyMed
ClinicalTrials
DailyMed
DailyMed

Clinical Data

ClinicalTrials.gov FORMOTEROL
The Cochrane Collaboration FORMOTEROL

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 CHEMBL1256786. 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
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 0.998
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 0.922



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
CHEMBL3754 Beta-2 adrenergic receptor Rattus norvegicus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 0.999
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.988
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 0.979
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 0.894
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.881
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
344.4 344.1736 1.92 8 90.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.95 1.82 2.03 .37 2 25 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL1256786. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03A - ADRENERGICS, INHALANTS
R03AC - Selective beta-2-adrenoreceptor agonists
R03AC13 - formoterol

ChemSpider ChemSpider:BPZSYCZIITTYBL-UHFFFAOYSA-N
DailyMed formoterol fumarate formoterol fumarate dihydrate
PubChem SID: 50125837

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256786



ACToR 128954-45-0
BindingDB 86453
ChEBI 63082
DrugBank DB00983
DrugCentral 1239
eMolecules 901916
Guide to Pharmacology 3465
Human Metabolome Database HMDB0015118
IBM Patent System D29F51A7E71E1A71DF4D849EB1965565
KEGG Ligand C07805
PharmGKB PA134687907
PubChem 3410
PubChem: Thomson Pharma 14875897
SureChEMBL SCHEMBL349579

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