TTD | Drug: D09EMR

Drug General Information
Drug ID	D09EMR
Former ID	DNC006499
Drug Name	Tyr-D-Phe-Gly-D-Trp-Nle-Asp-Phe-NH2
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528193]
Structure		Download 2D MOL 3D MOL
Formula	C50H59N9O10
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(CC4=CC=CC=C4)NC(=O<br />)C(CC5=CC=C(C=C5)O)N
InChI	1S/C50H59N9O10/c1-2-3-17-38(48(67)59-42(27-44(62)63)50(69)57-39(45(52)64)24-30-12-6-4-7-13-30)56-49(68)41(26-33-28-53-37-18-11-10-16-35(33)37)55-43(61)29-54-47(66)40(25-31-14-8-5-9-15-31)58-46(65)36(51)23-32-19-21-34(60)22-20-32/h4-16,18-22,28,36,38-42,53,60H,2-3,17,23-27,29,51H2,1H3,(H2,52,64)(H,54,66)(H,55,61)(H,56,68)(H,57,69)(H,58,65)(H,59,67)(H,62,63)/t36-,38-,39-,40+,41+,42-/m0/s1
InChIKey	DWHRPZRXNRDAQF-KCTXSUAESA-N
PubChem Compound ID	11136782
Target and Pathway
Target(s)	Gastrin/cholecystokinin type B receptor	Target Info	Inhibitor	[528193]
	Mu-type opioid receptor	Target Info	Inhibitor	[528193]
	Delta-type opioid receptor	Target Info	Inhibitor	[528193]
	Cholecystokinin receptor type A	Target Info	Inhibitor	[528193]
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 528193	J 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 528193	J 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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