Drug Information

Drug General Information
Drug ID
D0R5TA
Former ID
DNC008606
Drug Name
ENDOMORPHIN-1
Drug Type
Small molecular drug
Indication Discovery agent Investigative [538997]
Structure
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2D MOL

3D MOL
Formula
C34H38N6O5
InChI
InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
InChIKey
ZEXLJFNSKAHNFH-SYKYGTKKSA-N
PubChem Compound ID
5311080
PubChem Substance ID
7979160, 11056258, 14789527, 14862913, 26757055, 39340805, 50006734, 50111487, 53789029, 79468197, 103293205, 103992914, 114155220, 126525498, 134345811, 135315902, 135652148, 137242513, 162228245, 241182088, 241375188, 249617243, 252434230
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [530234]
Kappa-type opioid receptor Target Info Inhibitor [526937]
Delta-type opioid receptor Target Info Inhibitor [529556]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04080:Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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 releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs 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 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 TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 538997(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1623).
Ref 526937J Med Chem. 2004 Jan 29;47(3):735-43.Structure-activity study on the Phe side chain arrangement of endomorphins using conformationally constrained analogues.
Ref 529556J Med Chem. 2008 Jul 24;51(14):4270-9. Epub 2008 Jun 24.New endomorphin analogues containing alicyclic beta-amino acids: influence on bioactive conformation and pharmacological profile.
Ref 530234Bioorg Med Chem Lett. 2009 Aug 1;19(15):4115-8. Epub 2009 Jun 6.Synthesis and evaluation of new endomorphin analogues modified at the Pro(2) residue.

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