Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0UR7D
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| Former ID |
DNC004913
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| Drug Name |
Benzyl derivative of M6G
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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 |
C54H60N2O8
|
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| Canonical SMILES |
CN1CCC23C(C1CC4=C2C=C(C=C4)O)C=CC(C3OC)NC(=O)CC5C(C(C(C<br />(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=<br />CC=C9
|
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| InChI |
1S/C54H60N2O8/c1-56-28-27-54-43(46(56)29-41-23-24-42(57)30-44(41)54)25-26-45(53(54)59-2)55-49(58)31-47-50(61-33-38-17-9-4-10-18-38)52(63-35-40-21-13-6-14-22-40)51(62-34-39-19-11-5-12-20-39)48(64-47)36-60-32-37-15-7-3-8-16-37/h3-26,30,43,45-48,50-53,57H,27-29,31-36H2,1-2H3,(H,55,58)/t43-,45+,46+,47?,48?,50?,51?,52?,53?,54-/m0/s1
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| InChIKey |
AKEFSYMTVVZMKO-GZNILVGYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Mu-type opioid receptor | Target Info | Inhibitor | [1] | |
| Kappa-type opioid receptor | Target Info | Inhibitor | [1] | ||
| Delta-type opioid receptor | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| Estrogen signaling pathway | |||||
| Morphine addictionhsa04080:Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway | |||||
| Sphingolipid signaling pathway | |||||
| 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 | |||||
| Enkephalin releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Enkephalin release | |||||
| Opioid proenkephalin pathway | |||||
| Opioid proopiomelanocortin pathway | |||||
| 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 | TCR Signaling Pathway | ||||
| GPCRs, Class A Rhodopsin-like | |||||
| Peptide GPCRs | |||||
| Opioid Signalling | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | Bioorg Med Chem Lett. 2005 Mar 15;15(6):1583-6.Synthesis and in vitro biological evaluation of a carbon glycoside analogue of morphine-6-glucuronide. | ||||
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