Drug Information

Drug General Information
Drug ID
D0O7XU
Former ID
DNC012854
Drug Name
[Tyr-Pro-Phe-Phe-NH-CH2-]2
Indication Discovery agent Investigative [527490]
Structure
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2D MOL

3D MOL
Formula
C66H75N9O10
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)CCNC(CC5=CC=C(C=C5)O)C(=O)N6<br />CCCC6C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CC8=CC=CC=C8)C(=O)N
InChI
1S/C66H75N9O10/c67-51(37-47-25-29-49(76)30-26-47)65(84)74-35-13-23-57(74)63(82)72-54(40-45-19-9-3-10-20-45)61(80)70-52(38-43-15-5-1-6-16-43)59(78)33-34-69-56(42-48-27-31-50(77)32-28-48)66(85)75-36-14-24-58(75)64(83)73-55(41-46-21-11-4-12-22-46)62(81)71-53(60(68)79)39-44-17-7-2-8-18-44/h1-12,15-22,25-32,51-58,69,76-77H,13-14,23-24,33-42,67H2,(H2,68,79)(H,70,80)(H,71,81)(H,72,82)(H,73,83)/t51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
InChIKey
YHWMMBKGEDGQFW-LEPIMFGVSA-N
PubChem Compound ID
44390629
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [527490]
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 527490Bioorg 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.
Ref 527490Bioorg 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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