Drug General Information
Drug ID
D0E7NL
Former ID
DNC013140
Drug Name
H-Dmt-Tic-(2S,3S)-beta-MeCha-Phe-OH
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528621]
Structure
Download
2D MOL

3D MOL

Formula
C40H50N4O6
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C(C)C4CC<br />CCC4)C(=O)NC(CC5=CC=CC=C5)C(=O)O)N)C)O
InChI
1S/C40H50N4O6/c1-24-18-31(45)19-25(2)32(24)22-33(41)39(48)44-23-30-17-11-10-16-29(30)21-35(44)37(46)43-36(26(3)28-14-8-5-9-15-28)38(47)42-34(40(49)50)20-27-12-6-4-7-13-27/h4,6-7,10-13,16-19,26,28,33-36,45H,5,8-9,14-15,20-23,41H2,1-3H3,(H,42,47)(H,43,46)(H,49,50)/t26-,33-,34-,35?,36-/m0/s1
InChIKey
GWHRSTGESQKJIQ-VERNRBRGSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528621]
Delta-type opioid receptor Target Info Inhibitor [528621]
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 528621J Med Chem. 2007 Jan 25;50(2):328-33.Beta-methyl substitution of cyclohexylalanine in Dmt-Tic-Cha-Phe peptides results in highly potent delta opioid antagonists.
Ref 528621J Med Chem. 2007 Jan 25;50(2):328-33.Beta-methyl substitution of cyclohexylalanine in Dmt-Tic-Cha-Phe peptides results in highly potent delta opioid antagonists.

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