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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 CDAISMWEOUEBRE-GPIVLXJGSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1222251 CHEMBL468154 CHEMBL1950780 CHEMBL278373 CHEMBL1231671 CHEMBL3976780
DrugBank DB13178 DB03106
PDBe INS 2H3 CBU
Guide to Pharmacology 4495 4649 4648 4645
KEGG Ligand C00137 C06153 C06152
ChEBI 17268 23927 10642 24848 25492 27987 27374 23311 27372 22357
ZINC ZINC000100018867 ZINC000100073149 ZINC000103574475 ZINC000100055570 ZINC000103574430 ZINC000001530357 ZINC000100035580 ZINC000103574467 ZINC000100513675 ZINC000102201844 ZINC000100019018 ZINC000100024490 ZINC000100037751 ZINC000100032893 ZINC000101185827
eMolecules 511839 29547622
IBM Patent System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
FDA SRS 4L6452S749 8LQ63P85IC 4661D3JP8D 1VS4X81277 R1Y9F3N15A 63GQX5QW03 6R79WV4R10 9O6Y5O4P9W 587A93P465
SureChEMBL SCHEMBL11453375 SCHEMBL5053626 SCHEMBL15463375 SCHEMBL6692643 SCHEMBL14831636 SCHEMBL18335516 SCHEMBL986489 SCHEMBL1317901 SCHEMBL8837761 SCHEMBL8106277 SCHEMBL9763631 SCHEMBL17085775 SCHEMBL11708592 SCHEMBL10419691 SCHEMBL9799397 SCHEMBL14352900 SCHEMBL8213071 SCHEMBL9394836 SCHEMBL5434562 SCHEMBL10887470 SCHEMBL5709159 SCHEMBL1694194 SCHEMBL5958695 SCHEMBL10619276 SCHEMBL2912690 SCHEMBL4327499 SCHEMBL5057751 SCHEMBL18335393 SCHEMBL2791560 SCHEMBL8443504 SCHEMBL289372 SCHEMBL2163730 SCHEMBL5265695 SCHEMBL4065794 SCHEMBL3835408 SCHEMBL1694267 SCHEMBL18191983 SCHEMBL2063151 SCHEMBL1615468 SCHEMBL9127174 SCHEMBL3339578 SCHEMBL9189706 SCHEMBL5831 SCHEMBL5907446 SCHEMBL3742110 SCHEMBL8084100 SCHEMBL5580636 SCHEMBL9297895 SCHEMBL8579003 SCHEMBL8837706 SCHEMBL10623318 SCHEMBL9580718 SCHEMBL5039565 SCHEMBL5953870 SCHEMBL8071615 SCHEMBL2519274 SCHEMBL3311692 SCHEMBL11119044 SCHEMBL7590607 SCHEMBL8165525 SCHEMBL1319493 SCHEMBL1694407 SCHEMBL8904481 SCHEMBL11908937 SCHEMBL6748023 SCHEMBL15463342 SCHEMBL17339182 SCHEMBL9115652 SCHEMBL1694658 SCHEMBL8441010 SCHEMBL11495634 SCHEMBL10762600 SCHEMBL8055168 SCHEMBL7049210 SCHEMBL15228333 SCHEMBL10712906 SCHEMBL9699839 SCHEMBL4266062 SCHEMBL396623 SCHEMBL2476479 SCHEMBL664558 SCHEMBL8582831 SCHEMBL5902036 SCHEMBL20483398 SCHEMBL6714792 SCHEMBL901519 SCHEMBL8622478 SCHEMBL1903638 SCHEMBL4201802 SCHEMBL714919 SCHEMBL9022878 SCHEMBL161381 SCHEMBL623983 SCHEMBL6535572 SCHEMBL5478168 SCHEMBL5319257 SCHEMBL1403778 SCHEMBL5800494 SCHEMBL2163732 SCHEMBL5046487 SCHEMBL8823238 SCHEMBL9717704 SCHEMBL3780055 SCHEMBL6534993 SCHEMBL10802156 SCHEMBL4653349 SCHEMBL5684515 SCHEMBL11061086 SCHEMBL1254556 SCHEMBL9018781 SCHEMBL6688385 SCHEMBL5024264 SCHEMBL16618100 SCHEMBL8989839 SCHEMBL1322460 SCHEMBL6246151 SCHEMBL7104567 SCHEMBL8444304 SCHEMBL8924756 SCHEMBL5428972 SCHEMBL16346585 SCHEMBL6670311 SCHEMBL19743764 SCHEMBL10727945 SCHEMBL2831131 SCHEMBL6360515 SCHEMBL14738664 SCHEMBL3079466 SCHEMBL2235908 SCHEMBL1854900 SCHEMBL11502308 SCHEMBL17165660 SCHEMBL19743739 SCHEMBL164008 SCHEMBL5265701 SCHEMBL15463376 SCHEMBL2512399 SCHEMBL290659 SCHEMBL18585732 SCHEMBL8837712 SCHEMBL13580047 SCHEMBL4984797 SCHEMBL8507768 SCHEMBL581992 SCHEMBL2516232 SCHEMBL13114128 SCHEMBL8833029 SCHEMBL3688520 SCHEMBL18585704 SCHEMBL5014240 SCHEMBL12371461 SCHEMBL8855797 SCHEMBL12735687 SCHEMBL2812224 SCHEMBL10591115 SCHEMBL5160562 SCHEMBL1254557 SCHEMBL2064869 SCHEMBL12377889 SCHEMBL5969 SCHEMBL5017469 SCHEMBL5011443 SCHEMBL3780057 SCHEMBL18585716 SCHEMBL5832 SCHEMBL188106 SCHEMBL10629261 SCHEMBL14353499 SCHEMBL20481123 SCHEMBL16194347 SCHEMBL6670313 SCHEMBL5052774 SCHEMBL13207905 SCHEMBL8855790 SCHEMBL6791918 SCHEMBL188237 SCHEMBL12711208 SCHEMBL11216800 SCHEMBL528766 SCHEMBL5958698 SCHEMBL959404 SCHEMBL1055883 SCHEMBL11132143 SCHEMBL11908938 SCHEMBL15484366 SCHEMBL18585316 SCHEMBL10689045 SCHEMBL6468882 SCHEMBL12411898 SCHEMBL187278 SCHEMBL2010327 SCHEMBL959405 SCHEMBL17165660 SCHEMBL5997336 SCHEMBL14542470 SCHEMBL187796 SCHEMBL13114115 SCHEMBL15463343 SCHEMBL2512747 SCHEMBL13114116 SCHEMBL491333 SCHEMBL5014238 SCHEMBL187397 SCHEMBL13058696 SCHEMBL6378921 SCHEMBL4748543 SCHEMBL18585302 SCHEMBL2351383 SCHEMBL20481304 SCHEMBL12475060 SCHEMBL1616453 SCHEMBL3312119
Human Metabolome Database HMDB0000211 HMDB0240208 HMDB0240207 HMDB0006088 HMDB0062138 HMDB0240210 HMDB0034220 HMDB0240209 HMDB0240211
PubChem: Thomson Pharma 136913760 99220499 15195161 26514731 99311320 163458328 103062031 16568556 14886858 14885158 99220639 49663571 14748350 56393875 14912258 15322057 15322064 15322063 15147308 16069409 16118411 15265570 15322059 15042025 14760932 15995960 15291683 15511902
PubChem 70505111 23213860 67781161 89961379 67301152 73950396 88789505 9914697 69618691 66609856 87877245 89781798 87400288 25181387 69283234 67631162 18946121 67721805 118578961 18695040 20220159 49787134 75593270 86578890 9916374 66868012 69294794 69439962 73949187 132256837 67095784 19050520 67544408 68407881 68953480 69600766 23665996 69884847 118373111 57383960 88334103 69539055 892 73437652 88300908 87643429 69816903 69817041 68898862 71150282 69292306 118438045 68591645 88608048 124152496 66762613 135312343 70398823 46871696 69990140 68783472 69496130 126649433 67923352 126649424 68808142 67019738 122657826 67913871 71149985 70429952 68603538 70271518 9804817 22055205 85468769 23093373 69620443 71608532 132256853 66610589 68438389 9939064 87963430 71484078 67930658 67422647 88300300 54609994 88249953 117780308 67264868 66644870 68162675 87771106 126649141 87477335 88655559 87358360 69866571 89961351 67841341 135314269 42621351 87840753 70466110 87567784 66732412 67749628 20485912 66776689 69876094 87834468 24759764 126649131 417415 18935698 70292403 67536395 124152589 49874204 67703259 67206115 88425870 70138514 66748140 66836395 135312520 16654988 91019724 100996307 11973225 53714837 90768658 100996308 12302985 68591801
Mcule MCULE-2727773046
NMRShiftDB 10026409 10026410
LINCS LSM-45237
ACToR 173524-45-3 643-12-9 551-72-4 87-89-8 6917-35-7 53319-35-0 488-58-4 488-59-5 488-55-1 38876-99-2 643-10-7
Recon inost
MolPort MolPort-001-785-905 MolPort-003-848-190 MolPort-006-111-433 MolPort-003-933-930 MolPort-001-742-552
Nikkaji J4.282J J101.889B J92.778C J522.945F J101.890F J101.892B J101.891D J9.771C J101.888D J1.222.636E J1.312.070F J1.222.635G
EPA CompTox Dashboard DTXSID7023146 DTXSID9044039 DTXSID30110000 DTXSID80486646
DrugCentral 1444
Metabolights MTBLC17268 MTBLC10642 MTBLC27987
Brenda 7415 47631 93055 97485 47542 454 106284 130895 127702 94011 1872 55532 36636 15753 5613 26040 12490 44301 148924 63177
Rhea 17268 10642 27372
ChemicalBook CB0332590 CB32130852

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