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ChEMBL

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ChEMBL Statistics
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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key QXDMQSPYEZFLGF-UHFFFAOYSA-L

  • s = stereochemical difference.
  • i = isotopic difference.
  • p = protonation differences identified.



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL3184709 CHEMBL146755
DrugBank DB03902
PDBe OXL OXD CA
Guide to Pharmacology 4538
KEGG Ligand C17478 C00209 C00076
ChEBI 60579 46904 30623 16995 29108
ZINC ZINC000006021239
eMolecules 13732497 883727 475940 889676
IBM Patent System 1CB3B92F079BA2980696AB8328BB6340 C8F407FC242FB37868950CBFC736186D
FDA SRS 2612HC57YE 9E7R5L6H31 2M83C4R6ZB 3XE66AE04I T7F702FETA
SureChEMBL SCHEMBL43709 SCHEMBL776 SCHEMBL8794397 SCHEMBL516205 SCHEMBL219243 SCHEMBL9937825 SCHEMBL8432824
PharmGKB PA164712582
Human Metabolome Database HMDB0002329 HMDB0000464
PubChem: Thomson Pharma 15146587 15461790 15264701 16019554 15119568
PubChem 16212978 33005 18676629 3817906 3730851 3819775 57431421 3716971 71081 971 4043730 20380063 271 21924744 18679089 101177695 129654981 12252962 101177696 159639 12252960 16213468 67993082 18665130 101177693 450657 71587807 2826722 57511407 57466766 20111663
Mcule MCULE-6647815245 MCULE-5396813937
NMRShiftDB 10016797
ACToR 25454-23-3 563-72-4 144-62-7 338-70-5 17787-72-3 14127-61-8 2065-73-8 18637-06-4
Recon oxa ca2
MolPort MolPort-001-779-798
Nikkaji J437E J2.296.798C J254.806B J215.990B J2.373.955K J2.954H J643.972A J1.732.659G J2.574.474H J2.960.523H J1.732.657K J3.349.091G J298.679E
BindingDB 14674 92964
EPA CompTox Dashboard DTXSID6027214 DTXSID8043785 DTXSID0025816 DTXSID7037638 DTXSID20482541 DTXSID50174689 DTXSID10233786 DTXSID20385104
Metabolights MTBLC16995 MTBLC30623 MTBLC46904 MTBLC29108
Brenda 2093 106026 185 13153 21553 15 105635 9524 165103 165102
Rhea 30623 29108
ChemicalBook CB83313103 CB0323998

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/QXDMQSPYEZFLGF-UHFFFAOYSA-L/0/0/4
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