Drug Information

Drug General Information
Drug ID
D0V9DY
Former ID
DNC007060
Drug Name
H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle-Asp-Phe-H
Indication Discovery agent Investigative [528606]
Structure
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2D MOL

3D MOL
Formula
C53H65N11O11
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)N
InChI
1S/C53H65N11O11/c1-3-4-18-41(60-51(73)44(29-46(67)68)61-49(71)39(55)24-32-13-7-5-8-14-32)50(72)62-43(28-36-27-35-17-11-12-19-40(35)58-36)53(75)64-63-52(74)42(26-33-15-9-6-10-16-33)59-45(66)30-56-47(69)31(2)57-48(70)38(54)25-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,73)(H,61,71)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39+,41+,42+,43-,44+/m1/s1
InChIKey
KYWMQIRORZGHDH-QOIWPSRPSA-N
PubChem Compound ID
16100410
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info Inhibitor [528606]
Mu-type opioid receptor Target Info Inhibitor [528606]
Cholecystokinin receptor type A Target Info Inhibitor [528606]
Delta-type opioid receptor Target Info Inhibitor [528606]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04020:Calcium signaling pathway
Insulin secretion
Pancreatic secretionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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
G alpha (q) signalling eventsR-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
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 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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