Drug General Information
Drug ID
D0CK8C
Former ID
DNC008310
Drug Name
H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-O-Bzl
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529306]
Structure
Download
2D MOL

3D MOL

Formula
C52H62N8O9
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)N<br />C(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)NC(=O)CNC(=O)C(C)NC(=O)<br />C(CC6=CC=C(C=C6)O)N
InChI
1S/C52H62N8O9/c1-32(2)25-42(49(65)59-44(52(68)69-31-36-15-8-5-9-16-36)28-37-29-54-41-18-11-10-17-39(37)41)58-50(66)45-19-12-24-60(45)51(67)43(27-34-13-6-4-7-14-34)57-46(62)30-55-47(63)33(3)56-48(64)40(53)26-35-20-22-38(61)23-21-35/h4-11,13-18,20-23,29,32-33,40,42-45,54,61H,12,19,24-28,30-31,53H2,1-3H3,(H,55,63)(H,56,64)(H,57,62)(H,58,66)(H,59,65)/t33-,40+,42+,43+,44+,45+/m1/s1
InChIKey
AWLKNBWKVMBAKT-FDXPNMITSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [529306]
Substance-P receptor Target Info Inhibitor [529306]
Mu-type opioid receptor Target Info Inhibitor [529306]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measleshsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
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 release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP06959:CCKR signaling map STP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-416476:G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 529306J Med Chem. 2008 Mar 13;51(5):1369-76. Epub 2008 Feb 12.A structure-activity relationship study and combinatorial synthetic approach of C-terminal modified bifunctional peptides that are delta/mu opioid receptor agonists and neurokinin 1 receptor antagonists.
Ref 529306J Med Chem. 2008 Mar 13;51(5):1369-76. Epub 2008 Feb 12.A structure-activity relationship study and combinatorial synthetic approach of C-terminal modified bifunctional peptides that are delta/mu opioid receptor agonists and neurokinin 1 receptor antagonists.

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