Drug General Information
Drug ID
D07HFU
Former ID
DNC007677
Drug Name
MCL-446
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528787]
Formula
C22H31N3O
Canonical SMILES
CNC(=O)NC1=CC2=C(CC3C4C2(CCCC4)CCN3CC5CC5)C=C1
InChI
1S/C22H31N3O/c1-23-21(26)24-17-8-7-16-12-20-18-4-2-3-9-22(18,19(16)13-17)10-11-25(20)14-15-5-6-15/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H2,23,24,26)/t18-,20+,22+/m0/s1
InChIKey
NXVBILHYMWWGLP-CZTZKLFOSA-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.