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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 WJSIUCDMWSDDCE-UHFFFAOYSA-K

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1201170 CHEMBL1234004 CHEMBL1261
DrugBank DB01356 DB04272
PDBe LI FLC CIT
Guide to Pharmacology 2478
KEGG Ligand C00158
ChEBI 64735 49713 35806 35802 16947 30769 35810 35809 76049
ZINC ZINC000000895081
eMolecules 524893 889361 475729 26753032 26753501 26753381 26757991
IBM Patent System B6D0EACAA9B51D273BD051006BC92FDD B5B6C1C0062693D7F1F9E1DC1BBB3C19
FDA SRS 3655633623 8H8Z5UER66 XF417D3PSL
SureChEMBL SCHEMBL40882 SCHEMBL106967 SCHEMBL7599577 SCHEMBL475574 SCHEMBL460208 SCHEMBL45491 SCHEMBL842 SCHEMBL1458270 SCHEMBL1331346 SCHEMBL1880546 SCHEMBL1332229 SCHEMBL1331787 SCHEMBL7566316 SCHEMBL1331942
PharmGKB PA450243 PA449021
Human Metabolome Database HMDB0005949 HMDB0000094
PubChem: Thomson Pharma 15043006 15412698 15322278 15243995 14993176 15322319 14968669 14773000
PubChem 5129076 13520 18326914 28486 6857642 6914561 87111074 31348 4342083 22051957 3853591 88113319 4099777 59575930 87060892 24802 76764134 19782904 311 87306242 10241686 10012881 12303295 129761155 12303294 16219104 16213403 10313505 9815540 16217547 16213286 88162338 9990172 102066902 25113638 123132476
Mcule MCULE-6872461833 MCULE-7981253226
NMRShiftDB 20209106 10008628 20207394
ACToR 6680-58-6 10377-38-5 919-16-4 879647-30-0 17341-24-1 126-44-3 12262-73-6 77-92-9
Recon cit
Nikkaji J48.475J J247.008J J209.397I J2.415.820I J2.824J J2.602.659H J209.358H J3.349.093C J819.241C
BindingDB 92494 14672
EPA CompTox Dashboard DTXSID10169612 DTXSID30155037 DTXSID3020332 DTXSID30486651 DTXSID40438005 DTXSID20583845 DTXSID80584439
DrugCentral 666
Metabolights MTBLC35802 MTBLC35806 MTBLC16947 MTBLC30769 MTBLC35810 MTBLC35809
Brenda 202159 56655 6242 17651 12806 152 1714 54493 131 46303 110131
Rhea 49713 16947

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