Drug Information

Drug General Information
Drug ID
D03KAQ
Former ID
DNC010088
Drug Name
2-Benzylaminomethyl-3-hydroxymorphinan
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530529]
Formula
C25H32N2O
Canonical SMILES
CN1CCC23CCCCC2C1CC4=CC(=C(C=C34)O)CNCC5=CC=CC=C5
InChI
1S/C25H32N2O/c1-27-12-11-25-10-6-5-9-21(25)23(27)14-19-13-20(24(28)15-22(19)25)17-26-16-18-7-3-2-4-8-18/h2-4,7-8,13,15,21,23,26,28H,5-6,9-12,14,16-17H2,1H3/t21-,23+,25+/m0/s1
InChIKey
BGGKLNVUQJUZIE-QQKQFIJSSA-N
PubChem Compound ID
44626544
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [530529]
Mu-type opioid receptor Target Info Inhibitor [530529]
KEGG 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
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 signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 530529J Med Chem. 2010 Jan 14;53(1):402-18.Synthesis and opioid receptor binding affinities of 2-substituted and 3-aminomorphinans: ligands for mu, kappa, and delta opioid receptors.
Ref 530529J Med Chem. 2010 Jan 14;53(1):402-18.Synthesis and opioid receptor binding affinities of 2-substituted and 3-aminomorphinans: ligands for mu, kappa, and delta opioid receptors.

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