Drug General Information
Drug ID
D0J2IK
Former ID
DNC012897
Drug Name
3,6-bis(Dmt-Tic-NH-ethyl)-2(1H)-pyrazinone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527916]
Structure
Download
2D MOL

3D MOL

Formula
C51H60N8O7
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=C(N=C<br />(C(=O)N4)CCNC(=O)C5CC6=CC=CC=C6CN5C(=O)C(CC7=C(C=C(C=C7<br />C)O)C)N)C)N)C)O
InChI
1S/C51H60N8O7/c1-28-18-37(60)19-29(2)39(28)24-41(52)50(65)58-26-35-12-8-6-10-33(35)22-45(58)48(63)54-16-14-43-32(5)56-44(47(62)57-43)15-17-55-49(64)46-23-34-11-7-9-13-36(34)27-59(46)51(66)42(53)25-40-30(3)20-38(61)21-31(40)4/h6-13,18-21,41-42,45-46,60-61H,14-17,22-27,52-53H2,1-5H3,(H,54,63)(H,55,64)(H,57,62)/t41-,42-,45?,46?/m0/s1
InChIKey
OOTASVYBVWGNJP-KJLUANBESA-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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