Drug General Information
Drug ID
D0Q2HZ
Former ID
DNC013684
Drug Name
H-Dmt-Tic-NH-(R)CH(CH2-COOH)-Bid(N1-Me)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529630]
Structure
Download
2D MOL

3D MOL

Formula
C32H35N5O5
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CC(=O)O)<br />C4=NC5=CC=CC=C5N4C)N)C)O
InChI
1S/C32H35N5O5/c1-18-12-22(38)13-19(2)23(18)15-24(33)32(42)37-17-21-9-5-4-8-20(21)14-28(37)31(41)35-26(16-29(39)40)30-34-25-10-6-7-11-27(25)36(30)3/h4-13,24,26,28,38H,14-17,33H2,1-3H3,(H,35,41)(H,39,40)/t24-,26-,28-/m0/s1
InChIKey
XFKPEXYNTQLONY-MPYJOUPCSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [529630]
Delta-type opioid receptor Target Info Inhibitor [529630]
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 529630J Med Chem. 2008 Aug 28;51(16):5109-17. Epub 2008 Aug 5.Further studies on lead compounds containing the opioid pharmacophore Dmt-Tic.
Ref 529630J Med Chem. 2008 Aug 28;51(16):5109-17. Epub 2008 Aug 5.Further studies on lead compounds containing the opioid pharmacophore Dmt-Tic.

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