Drug General Information
Drug ID
D0NA7G
Former ID
DNC006840
Drug Name
MCL-451
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528412]
Structure
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2D MOL

3D MOL

Formula
C24H29N3O5
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC(=O)O)N<br />)C)O
InChI
1S/C24H29N3O5/c1-14-9-18(28)10-15(2)19(14)12-20(25)24(32)27-13-17-6-4-3-5-16(17)11-21(27)23(31)26-8-7-22(29)30/h3-6,9-10,20-21,28H,7-8,11-13,25H2,1-2H3,(H,26,31)(H,29,30)/t20-,21-/m0/s1
InChIKey
FEJBKZCTAXWTTN-SFTDATJTSA-N
PubChem Compound ID
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528412]
Delta-type opioid receptor Target Info Inhibitor [528412]
Mu-type opioid receptor Target Info Inhibitor [528412]
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 528412J Med Chem. 2006 Sep 7;49(18):5640-3.New opioid designed multiple ligand from Dmt-Tic and morphinan pharmacophores.
Ref 528412J Med Chem. 2006 Sep 7;49(18):5640-3.New opioid designed multiple ligand from Dmt-Tic and morphinan pharmacophores.

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