Drug Information

Drug General Information
Drug ID
D0Z8JX
Former ID
DNC009719
Drug Name
C[L-Phe-D-pro-L-mTyr-D-trp]
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C34H35N5O5
Canonical SMILES
C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4<br />=CNC5=CC=CC=C54)CC6=CC(=CC=C6)O
InChI
1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-27-31(41)36-28(19-23-20-35-26-13-5-4-12-25(23)26)32(42)38-29(17-21-8-2-1-3-9-21)34(44)39-15-7-14-30(39)33(43)37-27/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
InChIKey
NXAWTNITTPJQAL-RRGQHJHPSA-N
PubChem Compound ID
44583386
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [1]
Delta-type opioid receptor Target Info Inhibitor [1]
Mu-type opioid receptor Target Info Inhibitor [1]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04022: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 Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs 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 Peptide ligand-binding receptors
G alpha (i) 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 signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
REF 1Bioorg Med Chem Lett. 2009 Jul 1;19(13):3647-50. Epub 2009 May 3.Nascent structure-activity relationship study of a diastereomeric series of kappa opioid receptor antagonists derived from CJ-15,208.

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