Drug General Information
Drug ID
D0C5RC
Former ID
DNC013336
Drug Name
N-alpha-amidino-Tyr(Me)-Pro-Trp-Phe-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528594]
Structure
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2D MOL

3D MOL

Formula
C36H42N8O5
Canonical SMILES
COC1=CC=C(C=C1)CC(C(=O)N2CCCC2C(=O)NC(CC3=CNC4=CC=CC=C4<br />3)C(=O)NC(CC5=CC=CC=C5)C(=O)N)N=C(N)N
InChI
1S/C36H42N8O5/c1-49-25-15-13-23(14-16-25)19-30(43-36(38)39)35(48)44-17-7-12-31(44)34(47)42-29(20-24-21-40-27-11-6-5-10-26(24)27)33(46)41-28(32(37)45)18-22-8-3-2-4-9-22/h2-6,8-11,13-16,21,28-31,40H,7,12,17-20H2,1H3,(H2,37,45)(H,41,46)(H,42,47)(H4,38,39,43)/t28-,29-,30-,31-/m0/s1
InChIKey
QKBVJESURFKHSK-ORYMTKCHSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [528594]
Mu-type opioid receptor Target Info Inhibitor [528594]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080: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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 528594Bioorg Med Chem. 2007 Feb 15;15(4):1694-702. Epub 2006 Dec 12.Endomorphin-1 analogs with enhanced metabolic stability and systemic analgesic activity: design, synthesis, and pharmacological characterization.
Ref 528594Bioorg Med Chem. 2007 Feb 15;15(4):1694-702. Epub 2006 Dec 12.Endomorphin-1 analogs with enhanced metabolic stability and systemic analgesic activity: design, synthesis, and pharmacological characterization.

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