Drug Information

Drug General Information
Drug ID
D0N6DN
Former ID
DNC006261
Drug Name
H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-Nle-Trp-Boc
Indication Discovery agent Investigative [528058]
Structure
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2D MOL

3D MOL
Formula
C58H71N9O15
Canonical SMILES
CCCCC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)O<br />)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=CC=C3)NNC(CC4=CC=CC=C4)<br />C(=O)NCC(=O)NC(C)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O
InChI
1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46+/m1/s1
InChIKey
IYNMVGGOTRCWGJ-CHAGIDMDSA-N
PubChem Compound ID
44408524
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [528058]
Delta-type opioid receptor Target Info Inhibitor [528058]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [528058]
Mu-type opioid receptor Target Info Inhibitor [528058]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
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 (q) signalling eventsR-HSA-375276: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
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Secretion of Hydrochloric Acid in Parietal Cells
GPCR downstream signaling
GPCRs, OtherWP69:TCR Signaling Pathway
Opioid Signalling
References
Ref 528058J Med Chem. 2006 Mar 9;49(5):1773-80.Design and synthesis of novel hydrazide-linked bifunctional peptides as delta/mu opioid receptor agonists and CCK-1/CCK-2 receptor antagonists.
Ref 528058J Med Chem. 2006 Mar 9;49(5):1773-80.Design and synthesis of novel hydrazide-linked bifunctional peptides as delta/mu opioid receptor agonists and CCK-1/CCK-2 receptor antagonists.

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