Drug General Information
Drug ID
D04KHE
Former ID
DNC013380
Drug Name
H-Tyr-Pro-Phe-Phe-NH-CH2-CH2-NH Tic Dmt-H
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529041]
Structure
Download
2D MOL

3D MOL

Formula
C55H64N8O8
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCNC(=O)C(<br />CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCCN6C(=O)C(C<br />C7=CC=C(C=C7)O)N)N)C)O
InChI
1S/C55H64N8O8/c1-34-26-42(65)27-35(2)43(34)32-45(57)55(71)63-33-40-17-10-9-16-39(40)31-49(63)52(68)59-24-23-58-50(66)46(29-36-12-5-3-6-13-36)60-51(67)47(30-37-14-7-4-8-15-37)61-53(69)48-18-11-25-62(48)54(70)44(56)28-38-19-21-41(64)22-20-38/h3-10,12-17,19-22,26-27,44-49,64-65H,11,18,23-25,28-33,56-57H2,1-2H3,(H,58,66)(H,59,68)(H,60,67)(H,61,69)/t44-,45-,46-,47-,48-,49?/m0/s1
InChIKey
CJBITXMCHBQEBZ-PGXNEIGQSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [529041]
Mu-type opioid receptor Target Info Inhibitor [529041]
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 529041Bioorg Med Chem. 2007 Nov 15;15(22):6876-81. Epub 2007 Aug 29.A new opioid designed multiple ligand derived from the micro opioid agonist endomorphin-2 and the delta opioid antagonist pharmacophore Dmt-Tic.
Ref 529041Bioorg Med Chem. 2007 Nov 15;15(22):6876-81. Epub 2007 Aug 29.A new opioid designed multiple ligand derived from the micro opioid agonist endomorphin-2 and the delta opioid antagonist pharmacophore Dmt-Tic.

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