Drug Information

Drug General Information
Drug ID
D05QJS
Former ID
DNC005210
Drug Name
NORBINALTORPHIMINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539016]
Structure
Download
2D MOL

3D MOL
Formula
C40H43N3O6
InChI
InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
InChIKey
APSUXPSYBJVPPS-YAUKWVCOSA-N
CAS Number
CAS 105618-26-6
PubChem Compound ID
5480230
PubChem Substance ID
841865, 7980165, 14937121, 26751686, 47810970, 47959969, 49963059, 50104378, 53788880, 57363939, 75695922, 90341721, 96024347, 103698780, 103916123, 124750015, 134342415, 135650730, 136350521, 139813947, 174006862, 176482700, 223446577, 237136689, 244840471
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [531086]
Delta-type opioid receptor Target Info Inhibitor [526656]
Kappa-type opioid receptor Target Info Inhibitor [531086]
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 539016(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1642).
Ref 526656J Med Chem. 2003 Jul 3;46(14):3127-37.Identification of (3R)-7-hydroxy-N-((1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)- 3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl)-1,2,3,4-tetrahydro- 3-isoquinolinecarboxamide as a novel potent and selective opioid kappa receptor antagonist.
Ref 531086Bioorg Med Chem Lett. 2010 Sep 1;20(17):5035-8. Epub 2010 Jul 13.Synthesis of pyrrolomorphinan derivatives as kappa opioid agonists.

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