Drug General Information
Drug ID
D0R9LV
Former ID
DNC012903
Drug Name
1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527916]
Structure
Download
2D MOL

3D MOL

Formula
C52H68N6O6
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCCCCNC(=<br />O)C4CC5=CC=CC=C5CN4C(=O)C(CC6=C(C=C(C=C6C)O)C)N(C)C)N(C<br />)C)C)O
InChI
1S/C52H68N6O6/c1-33-23-41(59)24-34(2)43(33)29-47(55(5)6)51(63)57-31-39-19-13-11-17-37(39)27-45(57)49(61)53-21-15-9-10-16-22-54-50(62)46-28-38-18-12-14-20-40(38)32-58(46)52(64)48(56(7)8)30-44-35(3)25-42(60)26-36(44)4/h11-14,17-20,23-26,45-48,59-60H,9-10,15-16,21-22,27-32H2,1-8H3,(H,53,61)(H,54,62)/t45?,46?,47-,48-/m0/s1
InChIKey
WQLMNYRHCQXDKA-QYXCYUBVSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [527916]
Delta-type opioid receptor Target Info Inhibitor [527916]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04022: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
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 527916J Med Chem. 2005 Dec 15;48(25):8035-44.Potent Dmt-Tic pharmacophoric delta- and mu-opioid receptor antagonists.
Ref 527916J Med Chem. 2005 Dec 15;48(25):8035-44.Potent Dmt-Tic pharmacophoric delta- and mu-opioid receptor antagonists.

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