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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161
CHEMBL1161
Compound Name MOMETASONE FUROATE
ChEMBL Synonyms ASMANEX | Mometasone furoate monohydrate | SCH 32088 | ASMANEX TWISTHALER | MOMETASONE FUROATE | ELOCON | NASONEX | MOMETASONE | ASMANEX HFA
Max Phase 4 (Approved)
Trade Names ASMANEX HFA | ELOCON | NASONEX | MOMETASONE FUROATE | ASMANEX | ASMANEX TWISTHALER
Molecular Formula C27H30Cl2O6

Additional synonyms for CHEMBL1161 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(1 ...
Download InChI
Standard InChI Key WOFMFGQZHJDGCX-ZULDAHANSA-N

Sources

  • AstraZeneca Deposited Data
  • 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


CHEMBL1161

Molecule Features

CHEMBL1161 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:Y 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 PubMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AsthmaD001249EFO:0000270asthma4ClinicalTrials
DailyMed
DailyMed
DailyMed
DailyMed
Rhinitis, Allergic, PerennialD012221EFO:1001417Rhinitis, Allergic, Perennial3ClinicalTrials
Skin DiseasesD012871EFO:0000701skin disease4DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
Lung Diseases, ObstructiveD008173HP:0006536obstructive lung disease4ATC
Sleep Apnea, ObstructiveD020181EFO:0003918obstructive sleep apnea3ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0005854allergic rhinitis3ClinicalTrials
Adenomatous Polyposis ColiD011125EFO:0000662polyp3ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
PsoriasisD011565EFO:0000676psoriasis2ClinicalTrials
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia2ClinicalTrials
Dermatitis, AtopicD003876EFO:0000274atopic eczema2ClinicalTrials
Otitis Media with EffusionD010034EFO:0007415otitis media with effusion3ClinicalTrials
HypersensitivityD006967EFO:0003785allergy3ClinicalTrials
Nasal PolypsD009298EFO:1000391Nasal Cavity Polyp3ClinicalTrials
SinusitisD012852EFO:0007486sinusitis3ClinicalTrials
Spinal Cord InjuriesD013119EFO:1001919Spinal cord injury1ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0003956seasonal allergic rhinitis3ClinicalTrials
Eosinophilic EsophagitisD057765EFO:0004232eosinophilic esophagitis2ClinicalTrials
HypertrophyD006984EFO:0002460hypertrophy3ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov MOMETASONE FUROATE
The Cochrane Collaboration MOMETASONE FUROATE

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 CHEMBL1161. 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
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.877
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.693
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.495
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.453
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.262



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.963
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.907
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 0.798
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.784
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.261

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
521.4 520.1419 4.87 4 93.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.02 - 3.59 3.59 1 35 0.45

Structural Alerts

There are 21 structural alerts for CHEMBL1161. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07X - CORTICOSTEROIDS, OTHER COMBINATIONS
D07XC - Corticosteroids, potent, other combinations
D07XC03 - mometasone

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AC - Corticosteroids, potent (group III)
D07AC13 - mometasone

R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03B - OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03BA - Glucocorticoids
R03BA07 - mometasone

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AD - Corticosteroids
R01AD09 - mometasone

ChemSpider ChemSpider:WOFMFGQZHJDGCX-ZULDAHANSA-N
DailyMed mometasone furoate mometasone furoate monohydrate
PubChem SID: 144204256 SID: 170464666 SID: 56463118
Wikipedia Mometasone_furoate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161



ACToR 83919-23-7
BindingDB 50148733
ChEBI 47564
ChemicalBook CB0725569
DrugCentral 1832
eMolecules 32231657 3716086
EPA CompTox Dashboard DTXSID4023333
FDA SRS 04201GDN4R
IBM Patent System 37AF6E99943C04A62575A0E5B06654E2
KEGG Ligand C07817
LINCS LSM-3349
MolPort MolPort-003-849-257
Nikkaji J258.527H
PDBe MOF
PubChem 441336
PubChem: Thomson Pharma 14762869 14860687
Selleck mometasone-furoate
SureChEMBL SCHEMBL4568
ZINC ZINC000003938677

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