Drug General Information
Drug ID
D05NYR
Former ID
DNC013149
Drug Name
H-Dmt-Tic-(2R,3R)-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-/m1/s1
InChIKey
GWHRSTGESQKJIQ-RUXLTPPNSA-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.

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