Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0X2HT
|
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| Former ID |
DNC013077
|
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| Drug Name |
M3IBu6S
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C21H25NO7S
|
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| Canonical SMILES |
CC(C)C(=O)OC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)OS(=O)(=<br />O)O)C=C1
|
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| InChI |
1S/C21H25NO7S/c1-11(2)20(23)27-15-6-4-12-10-14-13-5-7-16(29-30(24,25)26)19-21(13,8-9-22(14)3)17(12)18(15)28-19/h4-7,11,13-14,16,19H,8-10H2,1-3H3,(H,24,25,26)/t13-,14+,16-,19-,21-/m0/s1
|
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| InChIKey |
GABBKMMVICEZHE-AYHJQLAQSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Kappa-type opioid receptor | Target Info | Inhibitor | [1] | |
| Mu-type opioid receptor | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction | ||||
| Estrogen signaling pathway | |||||
| Morphine addiction | |||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | ||||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||||
| Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Enkephalin release | |||||
| Pathway Interaction Database | IL4-mediated signaling events | ||||
| Reactome | Peptide ligand-binding receptors | ||||
| G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors | |||||
| G alpha (i) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP69:TCR Signaling Pathway | |||||
| Opioid Signalling | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners. | ||||
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