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UniChem Connectivity Layer Cross References

Legend

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

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1245 CHEMBL1201329
DrugBank DB01116
KEGG Ligand C07174
ChEBI 9729 9728 55379 55384 9729 9729 55407 55403 55408 55401
ZINC ZINC000003831582 ZINC000003831584 ZINC000100308860 ZINC000100308855 ZINC000003831581 ZINC000100308851 ZINC000100004785 ZINC000001542202 ZINC000100004787 ZINC000001673035
eMolecules 711330 482300 29549811 8294299 30177464 488793
IBM Patent System C6954E477FAE7621B3DE08ED7E7CFD3B CC8EB65B477CE0E67EDE72E59EE2490D CE0DD63B9287BF6FE47341E75FCABE5A 056040219B95E566858A7B5593918EAA B3356694DC4AC788A0C76A5066BBCF0D 9C9B17C016D9CFBD5636E201FFF02654 A511F27C5A13A9C018FCADDDEDF318CF 21BCB37468A9FF7969A78D8BA3EDC667
FDA SRS 9TLZ01S15L Y6075I4FXE
SureChEMBL SCHEMBL122467 SCHEMBL122468 SCHEMBL3604 SCHEMBL122468 SCHEMBL312892 SCHEMBL122468 SCHEMBL412452 SCHEMBL60288 SCHEMBL26058 SCHEMBL585645 SCHEMBL7423952 SCHEMBL17024352 SCHEMBL106811 SCHEMBL839571
PharmGKB PA451784
Human Metabolome Database HMDB0015248
PubChem: Thomson Pharma 14887142 15103137 14852775 16784298 14749381 15172430 16156192
PubChem 441310 44602409 73897296 92043511 23576 195161 3063931 10114452 3680404 73897296 18462 58892582 3798890 3063931 44602409 76962020 71623254 76962022 76962023 76962019 57417229 76962021 71623255 76962024 49791901 218580 23308881 43833349 6992131 44602409 65617 22806849 3063931 3033951 3057042 5771688 92043511 10220257 131278 6993953 59847847 23308876 56609960 129831758 73897296 92043511
Mcule MCULE-9135527554 MCULE-3095623807
ACToR 68-91-7 101833-83-4 115722-30-0 7187-66-8 1300-83-0 3144-16-9 27341-43-1 5872-08-2 101833-83-4 101833-83-4 35963-20-3
MolPort MolPort-000-152-669 MolPort-003-926-550 MolPort-003-927-880
Nikkaji J209.355C J237.940F J264.789C J192.554G J1.533.429K J215.756J J9.522B J2.067.181E J2.312.564A J209.520C J269.351H J1.630.036E J3.293.924D J208.233K
BindingDB 82545
EPA CompTox Dashboard DTXSID8043787
DrugCentral 2752
ChemicalBook CB4408868 CB0395928 CB0365888

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