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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1512
CHEMBL1512
Compound Name FLUNISOLIDE
ChEMBL Synonyms NASALIDE | SYNTARIS | SYNTARIS HAYFEVER | FLUNISOLIDE | AEROSPAN HFA | AEROSPAN | AEROBID | RS-3999 | NASAREL
Max Phase 4 (Approved)
Trade Names AEROSPAN HFA | NASALIDE | FLUNISOLIDE | SYNTARIS HAYFEVER | AEROBID | AEROSPAN | NASAREL | SYNTARIS
Molecular Formula C24H31FO6

Additional synonyms for CHEMBL1512 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@ ...
Download SMILES
Standard InChI InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27) ...
Download InChI
Standard InChI Key XSFJVAJPIHIPKU-XWCQMRHXSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • 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


CHEMBL1512

Molecule Features

CHEMBL1512 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glucocorticoid receptor agonist Glucocorticoid receptor DailyMed ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Rhinitis, Allergic, PerennialD012221EFO:1001417Rhinitis, Allergic, Perennial3ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
Lung Diseases, ObstructiveD008173HP:0006536obstructive lung disease4ATC
AsthmaD001249EFO:0000270asthma4FDA

Clinical Data

ClinicalTrials.gov FLUNISOLIDE
The Cochrane Collaboration FLUNISOLIDE

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 CHEMBL1512. 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
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.760
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.661
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.537
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.524



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.916
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.838
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.782
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.736
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.516
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.484

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
434.5 434.2105 2.27 2 93.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 - 2.04 2.04 0 31 0.69

Structural Alerts

There are 6 structural alerts for CHEMBL1512. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03B - OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03BA - Glucocorticoids
R03BA03 - flunisolide

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AD - Corticosteroids
R01AD04 - flunisolide

ChemSpider ChemSpider:XSFJVAJPIHIPKU-XWCQMRHXSA-N
DailyMed flunisolide
PubChem SID: 144204276 SID: 170465331 SID: 56463079
Wikipedia Flunisolide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1512



ACToR 3385-03-3
ChEBI 5106
DrugBank DB00180
DrugCentral 1201
eMolecules 30316176 30513027 36553068
EPA CompTox Dashboard DTXSID1045534
FDA SRS 78M02AA8KF
Guide to Pharmacology 7076
Human Metabolome Database HMDB0014326
IBM Patent System EE899BDA224877CC124B41C61604924B
KEGG Ligand C07005
LINCS LSM-3089
MolPort MolPort-005-943-434
NIH Clinical Collection SAM002589966
Nikkaji J3.402I
PharmGKB PA449661
PubChem 82153
PubChem: Thomson Pharma 14807742 14783343
SureChEMBL SCHEMBL4351
ZINC ZINC000004097305

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