Drug Information

Drug General Information
Drug ID
D01ESN
Former ID
DNC012859
Drug Name
[Tyr-Pro-Phe-Phe-NH-]2
Indication Discovery agent Investigative [527490]
Structure
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2D MOL

3D MOL
Formula
C64H71N9O10
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
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
InChIKey
DEEQOLBYTQLJHH-MENCHSDRSA-N
PubChem Compound ID
44390628
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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