Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0KK2E
|
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| Former ID |
DAP001557
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| Drug Name |
Eribulin
|
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| Drug Type |
Small molecular drug
|
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| Indication | Breast cancer [ICD-11: 2C60-2C65] | Approved | [1], [2] | |
| Company |
Eisai
|
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| Structure |
 |
Download2D MOL
|
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| Formula |
C40H59NO11
|
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| Canonical SMILES |
CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O
|
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| InChI |
1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
|
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| InChIKey |
UFNVPOGXISZXJD-JBQZKEIOSA-N
|
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| CAS Number |
CAS 253128-41-5
|
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:63587
|
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Tubulin (TUB) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6813). | |||
| REF 2 | Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5. | |||
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