Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ES1Q
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| Former ID |
DIB000250
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| Drug Name |
Temsirolimus
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| Synonyms |
Torisel
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| Drug Type |
Small molecular drug
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| Indication | Renal cell carcinoma [ICD-11: 2C90; ICD-10: C64] | Approved | [1], [2] | |
| Company |
Wyeth
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| Structure |
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Download2D MOL
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| Formula |
C56H87NO16
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| Canonical SMILES |
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC
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| InChI |
1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1
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| InChIKey |
CBPNZQVSJQDFBE-FUXHJELOSA-N
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| CAS Number |
CAS 162635-04-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
12014940, 14816760, 14914596, 50112771, 56313948, 91616133, 99436955, 103771165, 124756959, 125163765, 131346349, 135727446, 136345868, 137005644, 139209825, 139209826, 142578760, 144206068, 160967858, 162108260, 162172159, 174527830, 175437917, 176484822, 198991980, 204359550, 226408727, 249896045, 252158731
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| ChEBI ID |
CHEBI:79699
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| ADReCS Drug ID | BADD_D02151 | |||
| 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: 5892). | |||
| REF 2 | Advances in kinase targeting: current clinical use and clinical trials. Trends Pharmacol Sci. 2014 Nov;35(11):604-20. | |||
| REF 3 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
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