Drug General Information
Drug ID
D0IY2V
Former ID
DNC007676
Drug Name
MCL-445
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528787]
Formula
C23H33N3O
Canonical SMILES
CNC(=O)NC1=CC2=C(CC3C4C2(CCCC4)CCN3CC5CCC5)C=C1
InChI
1S/C23H33N3O/c1-24-22(27)25-18-9-8-17-13-21-19-7-2-3-10-23(19,20(17)14-18)11-12-26(21)15-16-5-4-6-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H2,24,25,27)/t19-,21+,23+/m0/s1
InChIKey
URMRSPJBIISGIL-XKCSPQBFSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528787]
Delta-type opioid receptor Target Info Inhibitor [528787]
Kappa-type opioid receptor Target Info Inhibitor [528787]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
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
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Opioid prodynorphin 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.