Drug Information

Drug General Information
Drug ID
D0U6OA
Former ID
DNC006504
Drug Name
Tyr-D-Ala-Gly-Trp-Nle-Asp-Phe-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528193]
Structure
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2D MOL

3D MOL
Formula
C44H55N9O10
Canonical SMILES
CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O<br />)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(C)NC(=O)C(CC4=CC=C<br />(C=C4)O)N
InChI
1S/C44H55N9O10/c1-3-4-13-33(42(61)53-36(22-38(56)57)44(63)52-34(39(46)58)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-47-32-14-9-8-12-30(28)32)50-37(55)24-48-40(59)25(2)49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-12,14-18,23,25,31,33-36,47,54H,3-4,13,19-22,24,45H2,1-2H3,(H2,46,58)(H,48,59)(H,49,60)(H,50,55)(H,51,62)(H,52,63)(H,53,61)(H,56,57)/t25-,31+,33+,34+,35+,36+/m1/s1
InChIKey
LTNSZIYAGMZDDY-QMXRFRSXSA-N
PubChem Compound ID
10909103
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [528193]
Delta-type opioid receptor Target Info Inhibitor [528193]
Mu-type opioid receptor Target Info Inhibitor [528193]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [528193]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04020:Calcium signaling pathway
Gastric acid secretion
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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin releaseP06959:CCKR signaling map ST
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 MAPK
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
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
Secretion of Hydrochloric Acid in Parietal Cells
GPCR downstream signaling
GPCRs, Other
References
Ref 528193J Med Chem. 2006 May 18;49(10):2868-75.Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors.
Ref 528193J Med Chem. 2006 May 18;49(10):2868-75.Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors.

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