Drug General Information
Drug ID
D0V8UG
Former ID
DNC013558
Drug Name
H-Dmt-Tic-NH-CH2-Boa
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529246]
Structure
Download
2D MOL

3D MOL

Formula
C29H30N4O4
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=NC5=CC<br />=CC=C5O4)N)C)O
InChI
1S/C29H30N4O4/c1-17-11-21(34)12-18(2)22(17)14-23(30)29(36)33-16-20-8-4-3-7-19(20)13-25(33)28(35)31-15-27-32-24-9-5-6-10-26(24)37-27/h3-12,23,25,34H,13-16,30H2,1-2H3,(H,31,35)/t23-,25-/m0/s1
InChIKey
JBEVAWMNEBELDV-ZCYQVOJMSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [529246]
Delta-type opioid receptor Target Info Inhibitor [529246]
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 529246Bioorg Med Chem. 2008 Mar 15;16(6):3032-8. Epub 2007 Dec 23.Role of benzimidazole (Bid) in the delta-opioid agonist pseudopeptide H-Dmt-Tic-NH-CH(2)-Bid (UFP-502).
Ref 529246Bioorg Med Chem. 2008 Mar 15;16(6):3032-8. Epub 2007 Dec 23.Role of benzimidazole (Bid) in the delta-opioid agonist pseudopeptide H-Dmt-Tic-NH-CH(2)-Bid (UFP-502).

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