Drug General Information
Drug ID
D09DUE
Former ID
DNC007678
Drug Name
MCL-447
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528787]
Structure
Download
2D MOL

3D MOL

Formula
C22H31N3O
Canonical SMILES
C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)NC(=O)N)CC5CCC5
InChI
1S/C22H31N3O/c23-21(26)24-17-8-7-16-12-20-18-6-1-2-9-22(18,19(16)13-17)10-11-25(20)14-15-4-3-5-15/h7-8,13,15,18,20H,1-6,9-12,14H2,(H3,23,24,26)/t18-,20+,22+/m0/s1
InChIKey
UYFRBZFZZCVVGT-CZTZKLFOSA-N
PubChem Compound ID
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528787]
Delta-type opioid receptor Target Info Inhibitor [528787]
Mu-type opioid receptor Target Info Inhibitor [528787]
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 528787Bioorg Med Chem. 2007 Jun 15;15(12):4106-12. Epub 2007 Mar 30.In-vitro investigation of oxazol and urea analogues of morphinan at opioid receptors.
Ref 528787Bioorg Med Chem. 2007 Jun 15;15(12):4106-12. Epub 2007 Mar 30.In-vitro investigation of oxazol and urea analogues of morphinan at opioid receptors.

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