Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01ESN
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| Former ID |
DNC012859
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| Drug Name |
[Tyr-Pro-Phe-Phe-NH-]2
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C64H71N9O10
|
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| Canonical SMILES |
C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CC=CC=C3<br />)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)N6CC<br />CC6C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CC8=CC=CC=C8)C(=O)N
|
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| InChI |
1S/C64H71N9O10/c65-49(35-45-25-29-47(74)30-26-45)63(82)72-33-13-23-55(72)61(80)70-53(39-44-21-11-4-12-22-44)59(78)68-51(37-42-17-7-2-8-18-42)60(79)71-54(40-46-27-31-48(75)32-28-46)64(83)73-34-14-24-56(73)62(81)69-52(38-43-19-9-3-10-20-43)58(77)67-50(57(66)76)36-41-15-5-1-6-16-41/h1-12,15-22,25-32,49-56,74-75H,13-14,23-24,33-40,65H2,(H2,66,76)(H,67,77)(H,68,78)(H,69,81)(H,70,80)(H,71,79)/t49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
|
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| InChIKey |
DEEQOLBYTQLJHH-MENCHSDRSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Mu-type opioid receptor | Target Info | Inhibitor | [1] | |
| KEGG Pathway | 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 | |||||
| Enkephalin release | |||||
| Pathway Interaction Database | IL4-mediated signaling events | ||||
| Reactome | 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 signaling | |||||
| References | |||||
| REF 1 | Bioorg Med Chem Lett. 2005 Apr 1;15(7):1847-50.Structure-activity relationship of the novel bivalent and C-terminal modified analogues of endomorphin-2. | ||||
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