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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1586
CHEMBL1586
Compound Name BECLOMETHASONE
ChEMBL Synonyms Beclomethasone
Max Phase 0
Trade Names
Molecular Formula C22H29ClO5

Additional synonyms for CHEMBL1586 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/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2 ...
Download InChI
Standard InChI Key NBMKJKDGKREAPL-DVTGEIKXSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1586

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
408.9 408.1704 2.17 2 94.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.17 - 2.44 2.44 0 28 0.61

Structural Alerts

There are 9 structural alerts for CHEMBL1586. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NBMKJKDGKREAPL-DVTGEIKXSA-N
PubChem SID: 144205669 SID: 170464981 SID: 26757821 SID: 56422092 SID: 855985

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1586



ACToR 4419-39-0
BindingDB 53488
ChEBI 3001
eMolecules 31224812
EPA CompTox Dashboard DTXSID5040750
FDA SRS KGZ1SLC28Z
Guide to Pharmacology 7059
IBM Patent System 053DE01F7662D6E0C41C03C2E260BD61
KEGG Ligand C06842
MolPort MolPort-003-844-701
Nikkaji J8.720C
PharmGKB PA448547
PubChem 20469
PubChem: Thomson Pharma 14879604 14879603
SureChEMBL SCHEMBL3183
ZINC ZINC000004097285

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