Drug General Information
Drug ID
D03UHT
Former ID
DNC007680
Drug Name
MCL-458
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528787]
Formula
C22H28N2O2
Canonical SMILES
C1CCC23CCN(C(C2C1)CC4=CC5=C(C=C34)OC(=O)N5)CC6CCC6
InChI
1S/C22H28N2O2/c25-21-23-18-10-15-11-19-16-6-1-2-7-22(16,17(15)12-20(18)26-21)8-9-24(19)13-14-4-3-5-14/h10,12,14,16,19H,1-9,11,13H2,(H,23,25)/t16-,19+,22+/m0/s1
InChIKey
PSLNEDDFOIXXGT-DKZVUGQWSA-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.