Drug Information

Drug General Information
Drug ID
D0J7GJ
Former ID
DNC006262
Drug Name
H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-Nle-D-Trp-H
Indication Discovery agent Investigative [528058]
Structure
Download
2D MOL

3D MOL
Formula
C53H63N9O13
Canonical SMILES
CCCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O<br />)NC(=O)C(CC3=CC=CC=C3)NNC(CC4=CC=CC=C4)C(=O)NCC(=O)NC(C<br />)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O
InChI
1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
InChIKey
LHFDBKUCTFELLO-WMRIFXDUSA-N
PubChem Compound ID
44408484
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [528058]
Cholecystokinin receptor type A Target Info Inhibitor [528058]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [528058]
Mu-type opioid receptor Target Info Inhibitor [528058]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretionhsa04020: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 (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) 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 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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