Drug Information

Drug General Information
Drug ID
D0G6GC
Former ID
DNC008973
Drug Name
Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-NH-Bzl
Indication Discovery agent Investigative [529724]
Structure
Download
2D MOL

3D MOL
Formula
C57H72N10O9S
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3)N<br />C(=O)C4CCCN4C(=O)C(CCSC)NC(=O)C(CC5=CC=CC=C5)NC(=O)CNC(<br />=O)C(C)NC(=O)C(CC6=CC=C(C=C6)O)N
InChI
1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1
InChIKey
VUSRUVIDWSRKBU-POSUKJBFSA-N
PubChem Compound ID
25129135
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [529724]
Delta-type opioid receptor Target Info Inhibitor [529724]
Mu-type opioid receptor Target Info Inhibitor [529724]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measleshsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway CCKR signaling map STP00026: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
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Pathway Interaction Database IL4-mediated signaling events
Reactome G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Opioid Signalling
GPCR downstream signaling
References
Ref 529724J Med Chem. 2008 Oct 23;51(20):6334-47. Epub 2008 Sep 27.The importance of micelle-bound states for the bioactivities of bifunctional peptide derivatives for delta/mu opioid receptor agonists and neurokinin 1 receptor antagonists.
Ref 529724J Med Chem. 2008 Oct 23;51(20):6334-47. Epub 2008 Sep 27.The importance of micelle-bound states for the bioactivities of bifunctional peptide derivatives for delta/mu opioid receptor agonists and neurokinin 1 receptor antagonists.

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