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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 NTADLGJCFCFZAW-UHFFFAOYSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL341158 CHEMBL1184253 CHEMBL146755
DrugBank DB03902
PDBe OXD OXL
Guide to Pharmacology 4538
KEGG Ligand C00209
ChEBI 16995 30623 46904
ZINC ZINC000013470062 ZINC000006021239
eMolecules 475940 883727
IBM Patent System 1CB3B92F079BA2980696AB8328BB6340 C8F407FC242FB37868950CBFC736186D
FDA SRS 9E7R5L6H31
SureChEMBL SCHEMBL776 SCHEMBL8794397 SCHEMBL8432824
Human Metabolome Database HMDB0002329
PubChem: Thomson Pharma 16013134 15461790 16019554
PubChem 44351532 10958288 10958289 3819775 971 18676629 3817906 71081 3716971 57431421 3730851 4043730 12252962 101177696 450657 16213468 129654981 101177695 67993082 18665130 101177693 12252960 159639
Mcule MCULE-6647815245
NMRShiftDB 10016797
ACToR 144-62-7 338-70-5 2065-73-8
Recon oxa
MolPort MolPort-001-779-798
Nikkaji J1.678.199A J2.954H J2.296.798C J215.990B J254.806B J2.373.955K J1.732.659G J2.574.474H J2.960.523H J1.732.657K J3.349.091G J298.679E
BindingDB 14674 92964
EPA CompTox Dashboard DTXSID0025816 DTXSID20482541 DTXSID50174689
Metabolights MTBLC16995 MTBLC30623 MTBLC46904
Brenda 2093 185 106026
Rhea 30623
ChemicalBook CB0323998 CB83313103

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