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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 IXHBTMCLRNMKHZ-LBPRGKRZSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1201177 CHEMBL1201237 CHEMBL1704116 CHEMBL1793796 CHEMBL2106021 CHEMBL293030
DrugBank DB01210
Guide to Pharmacology 570
PubChem: Drugs of the Future 12013724 12015505
KEGG Ligand C08228 C07914 C04883
ChEBI 6439 6438 94729 29110 72567 58612
ZINC ZINC000003830339 ZINC000003812876
eMolecules 3714906 10815269 10229662
IBM Patent System A7803A6405B109AD7444E71AB9DA93F7 C05A3D4683303F68135A4A53CD8DF5A5
FDA SRS O90S49LDHH G6317AOI7K 2L31MJM4SE W8BFD3J6YX
SureChEMBL SCHEMBL3134163 SCHEMBL1044367 SCHEMBL1247779 SCHEMBL5457897 SCHEMBL9836646 SCHEMBL42262 SCHEMBL7180236 SCHEMBL19689236 SCHEMBL19815837 SCHEMBL4943651 SCHEMBL3231463 SCHEMBL24095 SCHEMBL6224143 SCHEMBL19816738 SCHEMBL13724218 SCHEMBL613150 SCHEMBL828612
PharmGKB PA164747027
Human Metabolome Database HMDB0015341
PubChem: Thomson Pharma 16814479 14800093 16206331 14899671 15492646 14912523 14889431
PubChem 69449454 66964663 87483871 441415 5284409 22295973 67108273 66887226 70014214 39468 134210485 51371421 134211249 69711148 132209278 76958597 89155349 68657 34060 5460339 6420066 76958597 51371424 9939319 45114169 3914 9918973 24848269 4479096
LINCS LSM-6578 LSM-5810
ACToR 27912-14-7 47141-42-4 31969-05-8 27591-01-1
MolPort MolPort-003-848-379 MolPort-003-666-815
Nikkaji J237.992I J238.476K
EPA CompTox Dashboard DTXSID6020777 DTXSID1043833 DTXSID90423567 DTXSID7022702
DrugCentral 431
Brenda 112056
Rhea 58612

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