Drug General Information
Drug ID
D0DN6A
Former ID
DNC012900
Drug Name
1,4-bis-(Dmt-Tic-amino)butane
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527916]
Structure
Download
2D MOL

3D MOL

Formula
C46H56N6O6
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCCNC(=O)<br />C4CC5=CC=CC=C5CN4C(=O)C(CC6=C(C=C(C=C6C)O)C)N)N)C)O
InChI
1S/C46H56N6O6/c1-27-17-35(53)18-28(2)37(27)23-39(47)45(57)51-25-33-13-7-5-11-31(33)21-41(51)43(55)49-15-9-10-16-50-44(56)42-22-32-12-6-8-14-34(32)26-52(42)46(58)40(48)24-38-29(3)19-36(54)20-30(38)4/h5-8,11-14,17-20,39-42,53-54H,9-10,15-16,21-26,47-48H2,1-4H3,(H,49,55)(H,50,56)/t39-,40-,41?,42?/m0/s1
InChIKey
JSRJJBASKHLXAZ-YZNAZWRISA-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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