Drug Information

Drug General Information
Drug ID
D0OH7D
Former ID
DNC000101
Drug Name
7-benzylidenenaltrexone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539008]
Structure
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2D MOL

3D MOL
Formula
C27H27NO4
InChI
InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1
InChIKey
WXOUFNFMPVMGFZ-XEGDMQTMSA-N
CAS Number
CAS 615258-40-7
PubChem Compound ID
6438353
PubChem Substance ID
15081496, 43031361, 50064318, 57368009, 79458057, 96099969, 103316748, 134339627, 135078237, 135650013, 225145224, 225146326, 240304789
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Antagonist [535501]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
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 release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 539008(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: 1634).
Ref 535501Delta-opioid receptor antagonists as a new concept for central acting antitussive drugs. Pulm Pharmacol Ther. 2002;15(3):235-40.

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