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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201404
CHEMBL1201404
Compound Name MOMETASONE
ChEMBL Synonyms Mometasone
Max Phase 0
Trade Names
Molecular Formula C22H28Cl2O4

Additional synonyms for CHEMBL1201404 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/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13, ...
Download InChI
Standard InChI Key QLIIKPVHVRXHRI-CXSFZGCWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1201404

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
427.4 426.1365 3.41 2 74.6 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.08 - 2.67 2.67 0 28 0.66

Structural Alerts

There are 20 structural alerts for CHEMBL1201404. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QLIIKPVHVRXHRI-CXSFZGCWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201404



ACToR 105102-22-5
ChEBI 6970
DrugBank DB00764
EPA CompTox Dashboard DTXSID10872412
FDA SRS 8HR4QJ6DW8
Guide to Pharmacology 9029
Human Metabolome Database HMDB0014902
IBM Patent System 11F5D35FC0C6267795DE5B06A7802330
KEGG Ligand C07816
Nikkaji J536.076E
PubChem 441335
PubChem: Thomson Pharma 14832036
SureChEMBL SCHEMBL4485
ZINC ZINC000004097440

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