Drug General Information
Drug ID
D0I2CE
Former ID
DNC009718
Drug Name
C[L-mTyr-D-pro-L-Phe-D-trp]
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530160]
Structure
Download
2D MOL

3D MOL

Formula
C34H35N5O5
Canonical SMILES
C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC(=CC=C3)O)<br />CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6
InChI
1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-29-34(44)39-15-7-14-30(39)33(43)37-27(17-21-8-2-1-3-9-21)31(41)36-28(32(42)38-29)19-23-20-35-26-13-5-4-12-25(23)26/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
NMGCCCXRAFVYBR-RRGQHJHPSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [530160]
Delta-type opioid receptor Target Info Inhibitor [530160]
Kappa-type opioid receptor Target Info Inhibitor [530160]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Opioid prodynorphin 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 530160Bioorg 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.
Ref 530160Bioorg 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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