Drug General Information
Drug ID
D0X2HA
Former ID
DNC013111
Drug Name
H-Dmt-Tic-NH-CH[(CH2)4-NH-Ac]-Bid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528411]
Structure
Download
2D MOL

3D MOL

Formula
C35H42N6O4
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCCCNC(=<br />O)C)C4=NC5=CC=CC=C5N4)N)C)O
InChI
1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)40-31(14-8-9-15-37-23(3)42)33-38-29-12-6-7-13-30(29)39-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,42)(H,38,39)(H,40,44)
InChIKey
IOSGXZKTOLVOTQ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [528411]
Mu-type opioid receptor Target Info Inhibitor [528411]
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 528411J Med Chem. 2006 Sep 7;49(18):5610-7.Effect of lysine at C-terminus of the Dmt-Tic opioid pharmacophore.
Ref 528411J Med Chem. 2006 Sep 7;49(18):5610-7.Effect of lysine at C-terminus of the Dmt-Tic opioid pharmacophore.

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