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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201396
CHEMBL1201396
Compound Name FLUTICASONE
ChEMBL Synonyms Fluticasone
Max Phase 0
Trade Names
Molecular Formula C22H27F3O4S

Additional synonyms for CHEMBL1201396 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F) ...
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Standard InChI InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19 ...
Download InChI
Standard InChI Key MGNNYOODZCAHBA-GQKYHHCASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1201396

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
444.5 444.1582 3.47 2 74.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.66 - 2.07 2.07 0 30 0.68

Structural Alerts

There are 11 structural alerts for CHEMBL1201396. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MGNNYOODZCAHBA-GQKYHHCASA-N
Wikipedia Fluticasone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201396



ChEBI 5134
DrugBank DB13867
eMolecules 36745620
EPA CompTox Dashboard DTXSID0044022
FDA SRS CUT2W21N7U
Guide to Pharmacology 6699
IBM Patent System FB8C00ADFEF6031E7B77B8AFAC7AD4D1
KEGG Ligand C07815
Nikkaji J22.755B
PubChem 5311101
PubChem: Thomson Pharma 14808289 14930722
SureChEMBL SCHEMBL4069
ZINC ZINC000004097438

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