Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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
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| Drug Type |
Small molecular drug
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| Indication | Pain [ICD-11: MG30-MG3Z] | Phase 2 | [1] | |
| Company |
Roche
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| Structure |
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Download2D MOL
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| Formula |
C84H142N2O28
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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)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)C)O)C)C)C)(C)OC.CCC1C(C(=O)C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)C)O)C)C)C)(C)OC.C(=CC(=O)O)C(=O)O
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| InChI |
1S/2C40H69NO12.C4H4O4/c2*1-16-28-40(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/h2*20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-;/m11./s1
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| InChIKey |
KQRXEQGYUDDPNW-QXRSSOOUSA-N
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| CAS Number |
CAS 154802-96-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Motilin receptor (MLNR) | Target Info | Agonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT00050882) Safety and Effectiveness of an Investigational Agent (GM-611) in Patients With Diabetic Gastroparesis. U.S. National Institutes of Health. | |||
| REF 2 | Clinical pipeline report, company report or official report of Roche (2009). | |||
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