Drug Information

Drug General Information
Drug ID
D0TB4A
Former ID
DNC013275
Drug Name
Dmt-Pro-Emp-Phe-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528832]
Structure
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2D MOL

3D MOL
Formula
C37H47N5O5
Canonical SMILES
CCC1=CC=CC(=C1CC(C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C3CC<br />CN3C(=O)C(CC4=C(C=C(C=C4C)O)C)N)C
InChI
1S/C37H47N5O5/c1-5-26-14-9-11-22(2)29(26)21-32(35(45)40-31(34(39)44)19-25-12-7-6-8-13-25)41-36(46)33-15-10-16-42(33)37(47)30(38)20-28-23(3)17-27(43)18-24(28)4/h6-9,11-14,17-18,30-33,43H,5,10,15-16,19-21,38H2,1-4H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
InChIKey
FZEQHIVEBCRYJC-YRCZKMHPSA-N
PubChem Compound ID
16736880
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528832]
Delta-type opioid receptor Target Info Inhibitor [528832]
Mu-type opioid receptor Target Info Inhibitor [528832]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04022: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
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs 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 signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 528832J Med Chem. 2007 Jun 14;50(12):2753-66. Epub 2007 May 12.Bifunctional [2',6'-dimethyl-L-tyrosine1]endomorphin-2 analogues substituted at position 3 with alkylated phenylalanine derivatives yield potent mixed mu-agonist/delta-antagonist and dual mu-agonist/delta-agonist opioid ligands.
Ref 528832J Med Chem. 2007 Jun 14;50(12):2753-66. Epub 2007 May 12.Bifunctional [2',6'-dimethyl-L-tyrosine1]endomorphin-2 analogues substituted at position 3 with alkylated phenylalanine derivatives yield potent mixed mu-agonist/delta-antagonist and dual mu-agonist/delta-agonist opioid ligands.

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