Drug General Information
Drug ID
D0S7SO
Former ID
DNC007062
Drug Name
H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle-Asp-Phe-Bo
Indication Discovery agent Investigative [528606]
Structure
Download
2D MOL

3D MOL

Formula
C58H73N11O13
Canonical SMILES
CCCCC(C(=O)NC(CC1=CC2=CC=CC=C2N1)C(=O)NNC(=O)C(CC3=CC=C<br />C=C3)NC(=O)CNC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)N)NC(=O)C<br />(CC(=O)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)OC(C)(C)C
InChI
1S/C58H73N11O13/c1-6-7-21-43(64-54(78)47(32-49(72)73)66-53(77)44(28-35-16-10-8-11-17-35)67-57(81)82-58(3,4)5)52(76)65-46(31-39-30-38-20-14-15-22-42(38)62-39)56(80)69-68-55(79)45(29-36-18-12-9-13-19-36)63-48(71)33-60-50(74)34(2)61-51(75)41(59)27-37-23-25-40(70)26-24-37/h8-20,22-26,30,34,41,43-47,62,70H,6-7,21,27-29,31-33,59H2,1-5H3,(H,60,74)(H,61,75)(H,63,71)(H,64,78)(H,65,76)(H,66,77)(H,67,81)(H,68,79)(H,69,80)(H,72,73)/t34-,41+,43+,44+,45+,46-,47+/m1/s1
InChIKey
FEOAQCGOOODCEB-RXFVQNAMSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [528606]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [528606]
Mu-type opioid receptor Target Info Inhibitor [528606]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04080: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
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP06959:CCKR signaling map STP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Pathway Interaction Database IL4-mediated signaling events
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPKR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Secretion of Hydrochloric Acid in Parietal Cells
GPCR downstream signaling
GPCRs, OtherWP69:TCR Signaling Pathway
Opioid Signalling
References
Ref 528606J Med Chem. 2007 Jan 11;50(1):165-8.Partial retro-inverso, retro, and inverso modifications of hydrazide linked bifunctional peptides for opioid and cholecystokinin (CCK) receptors.
Ref 528606J Med Chem. 2007 Jan 11;50(1):165-8.Partial retro-inverso, retro, and inverso modifications of hydrazide linked bifunctional peptides for opioid and cholecystokinin (CCK) receptors.

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