Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0XH0K
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| Former ID |
DCL000564
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| Drug Name |
Mitemcinal fumarate
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| Synonyms |
(2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione; (E)-but-2-enedioic acid
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| Drug Type |
Small molecular drug
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| Indication | Pain [ICD9: 338, 356.0, 356.8,780; ICD10:G64, G90.0, R52, G89] | Phase 2 | [521541] | ||
| Company |
Roche
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| Structure |
|
Download2D MOL |
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| Formula |
C44H73NO16
|
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| Canonical SMILES |
CCC1C(C(=O)C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3<br />)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)C)O)C)C)C)(C)OC.C(=<br />CC(=O)O)C(=O)O
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| InChI |
1S/C40H69NO12.C4H4O4/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29;5-3(6)1-2-4(7)8/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-;/m1./s1
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| InChIKey |
IDLXWTNPDREJQZ-CAXMNIDWSA-N
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| CAS Number |
CAS 154802-96-7
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Motilin receptor | Target Info | Agonist | [551607] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| References | |||||
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