Drug General Information
Drug ID
D0C7MP
Former ID
DNC007679
Drug Name
MCL-448
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528787]
Structure
Download
2D MOL

3D MOL

Formula
C21H29N3O
Canonical SMILES
C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)NC(=O)N)CC5CC5
InChI
1S/C21H29N3O/c22-20(25)23-16-7-6-15-11-19-17-3-1-2-8-21(17,18(15)12-16)9-10-24(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13H2,(H3,22,23,25)/t17-,19+,21+/m0/s1
InChIKey
HEUGOTHWUMOSSR-FBBABVLZSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528787]
Kappa-type opioid receptor Target Info Inhibitor [528787]
Delta-type opioid receptor Target Info Inhibitor [528787]
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 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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