Drug General Information
Drug ID
D0J3NK
Former ID
DNC007468
Drug Name
MCL-449
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528655]
Structure
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2D MOL

3D MOL

Formula
C23H32N2O2
Canonical SMILES
CCNC(=O)OC1=CC2=C(CC3C4C2(CCCC4)CCN3CC5CC5)C=C1
InChI
1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
InChIKey
RVWFZRGYOXCUSN-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [528655]
Kappa-type opioid receptor Target Info Inhibitor [528655]
Mu-type opioid receptor Target Info Inhibitor [528655]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080: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
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Opioid prodynorphin 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 528655Bioorg Med Chem Lett. 2007 Mar 15;17(6):1508-11. Epub 2007 Jan 17.High-affinity carbamate analogues of morphinan at opioid receptors.
Ref 528655Bioorg Med Chem Lett. 2007 Mar 15;17(6):1508-11. Epub 2007 Jan 17.High-affinity carbamate analogues of morphinan at opioid receptors.

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