Drug General Information
Drug ID
D0Q7HG
Former ID
DNC008309
Drug Name
H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529306]
Structure
Download
2D MOL

3D MOL

Formula
C52H63N9O8
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=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/C52H63N9O8/c1-32(2)25-42(50(67)59-43(49(66)55-29-36-15-8-5-9-16-36)28-37-30-54-41-18-11-10-17-39(37)41)60-51(68)45-19-12-24-61(45)52(69)44(27-34-13-6-4-7-14-34)58-46(63)31-56-47(64)33(3)57-48(65)40(53)26-35-20-22-38(62)23-21-35/h4-11,13-18,20-23,30,32-33,40,42-45,54,62H,12,19,24-29,31,53H2,1-3H3,(H,55,66)(H,56,64)(H,57,65)(H,58,63)(H,59,67)(H,60,68)/t33-,40+,42+,43+,44+,45+/m1/s1
InChIKey
VXHMITAKWYIILS-FDXPNMITSA-N
PubChem Compound ID
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [529306]
Delta-type opioid receptor Target Info Inhibitor [529306]
Mu-type opioid receptor Target Info Inhibitor [529306]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measleshsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway CCKR signaling map STP00026: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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Pathway Interaction Database IL4-mediated signaling events
Reactome G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
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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