Drug General Information
Drug ID
D0QP2S
Former ID
DNC006259
Drug Name
Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMeNle-D-Trp-Boc
Indication Discovery agent Investigative [528058]
Structure
Download
2D MOL

3D MOL

Formula
C59H73N9O15
Canonical SMILES
CCCCC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)O<br />)N(C)C(=O)C(CC(=O)O)NC(=O)C(CC3=CC=CC=C3)NNC(CC4=CC=CC=<br />C4)C(=O)NCC(=O)NC(C)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O
InChI
1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
InChIKey
CHVZZDMXXHMJNM-BPYPMLAUSA-N
PubChem Compound ID
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info Inhibitor [528058]
Mu-type opioid receptor Target Info Inhibitor [528058]
Delta-type opioid receptor Target Info Inhibitor [528058]
Cholecystokinin receptor type A Target Info Inhibitor [528058]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Insulin secretion
Pancreatic secretion
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 releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathway
Pathway Interaction Database IL4-mediated signaling events
PathWhiz Pathway Gastric Acid Production
Reactome 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 eventsR-HSA-375276:Peptide ligand-binding receptors
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Secretion of Hydrochloric Acid in Parietal Cells
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
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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