Drug General Information
Drug ID
D02IMZ
Former ID
DNC007462
Drug Name
MCL-443
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528655]
Structure
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2D MOL

3D MOL

Formula
C29H36N2O2
Canonical SMILES
C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)OC(=O)NCC5=CC=CC=C5)CC<br />6CCC6
InChI
1S/C29H36N2O2/c32-28(30-19-21-7-2-1-3-8-21)33-24-13-12-23-17-27-25-11-4-5-14-29(25,26(23)18-24)15-16-31(27)20-22-9-6-10-22/h1-3,7-8,12-13,18,22,25,27H,4-6,9-11,14-17,19-20H2,(H,30,32)
InChIKey
VTNMTWBEHGIRGV-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528655]
Kappa-type opioid receptor Target Info Inhibitor [528655]
Delta-type opioid receptor Target Info Inhibitor [528655]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04080:Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin 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 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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