Drug General Information
Drug ID
D0S3LK
Former ID
DNC012901
Drug Name
1,6-bis-(Dmt-Tic-amino)hexane
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527916]
Structure
Download
2D MOL

3D MOL

Formula
C48H60N6O6
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)N)C)O
InChI
1S/C48H60N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h7-10,13-16,19-22,41-44,55-56H,5-6,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/t41-,42-,43?,44?/m0/s1
InChIKey
VJIXEMXKNBJTQB-GCGBLBKRSA-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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.