Drug General Information
Drug ID
D0R3GD
Former ID
DNC013112
Drug Name
H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528411]
Structure
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2D MOL

3D MOL

Formula
C41H46N6O5
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCCCNC(=<br />O)OCC4=CC=CC=C4)C5=NC6=CC=CC=C6N5)N)C)O
InChI
1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)/t33?,36-,37?/m1/s1
InChIKey
ZHRKDWCBKIOLKI-QNUATKLTSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528411]
Delta-type opioid receptor Target Info Inhibitor [528411]
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 528411J Med Chem. 2006 Sep 7;49(18):5610-7.Effect of lysine at C-terminus of the Dmt-Tic opioid pharmacophore.
Ref 528411J Med Chem. 2006 Sep 7;49(18):5610-7.Effect of lysine at C-terminus of the Dmt-Tic opioid pharmacophore.

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