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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 55384 55379 9729 9729 55407 55403 55408 55401
ZINC ZINC000003831581 ZINC000100308860 ZINC000100308851 ZINC000003831582 ZINC000100308855 ZINC000003831584 ZINC000001542202 ZINC000001673035 ZINC000100004785 ZINC000100004787
eMolecules 711330 482300 29549811 30177464 8294299 488793
IBM Patent System C6954E477FAE7621B3DE08ED7E7CFD3B 056040219B95E566858A7B5593918EAA CE0DD63B9287BF6FE47341E75FCABE5A B3356694DC4AC788A0C76A5066BBCF0D 9C9B17C016D9CFBD5636E201FFF02654 CC8EB65B477CE0E67EDE72E59EE2490D A511F27C5A13A9C018FCADDDEDF318CF 21BCB37468A9FF7969A78D8BA3EDC667
FDA SRS 9TLZ01S15L Y6075I4FXE
SureChEMBL SCHEMBL122467 SCHEMBL122468 SCHEMBL3604 SCHEMBL122468 SCHEMBL312892 SCHEMBL60288 SCHEMBL122468 SCHEMBL412452 SCHEMBL106811 SCHEMBL17024352 SCHEMBL7423952 SCHEMBL26058 SCHEMBL585645 SCHEMBL839571
PharmGKB PA451784
Human Metabolome Database HMDB0015248
PubChem: Thomson Pharma 14887142 15103137 14852775 16784298 14749381 16156192 15172430
PubChem 441310 73897296 10114452 44602409 195161 92043511 23576 3063931 58892582 3798890 3680404 18462 73897296 44602409 3063931 76962022 76962019 76962023 71623255 76962021 76962024 76962020 57417229 71623254 43833349 23308881 23308876 49791901 65617 131278 6992131 44602409 92043511 218580 3033951 5771688 3057042 3063931 22806849 10220257 59847847 6993953 129831758 56609960 73897296 92043511
Mcule MCULE-9135527554 MCULE-3095623807
ACToR 68-91-7 101833-83-4 115722-30-0 7187-66-8 5872-08-2 3144-16-9 27341-43-1 1300-83-0 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 J192.554G J264.789C J2.312.564A J1.533.429K J9.522B J2.067.181E J209.520C J3.293.924D J269.351H J215.756J J1.630.036E J208.233K
BindingDB 82545
EPA CompTox Dashboard DTXSID8043787 DTXSID3043788 DTXSID60863113 DTXSID00883956
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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