Drug General Information
Drug ID
D03VSJ
Former ID
DNC013826
Drug Name
Antanal 1
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529704]
Structure
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2D MOL

3D MOL

Formula
C40H44N6O5
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)N2CCCC2C(=O)NC(CC3=CNC4=CC=CC=C43<br />)C(=O)NC(CC5=CC6=CC=CC=C6C=C5)C(=O)N)N)C)O
InChI
1S/C40H44N6O5/c1-23-16-29(47)17-24(2)31(23)21-32(41)40(51)46-15-7-12-36(46)39(50)45-35(20-28-22-43-33-11-6-5-10-30(28)33)38(49)44-34(37(42)48)19-25-13-14-26-8-3-4-9-27(26)18-25/h3-6,8-11,13-14,16-18,22,32,34-36,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t32-,34+,35-,36+/m0/s1
InChIKey
RVBUBWGVXJZPJO-GIFUDOJISA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [529704]
Mu-type opioid receptor Target Info Inhibitor [529704]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling 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
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated 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 GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 529704J Med Chem. 2008 Sep 25;51(18):5866-70.Novel opioid peptide derived antagonists containing (2S)-2-methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid [(2S)-Mdcp].
Ref 529704J Med Chem. 2008 Sep 25;51(18):5866-70.Novel opioid peptide derived antagonists containing (2S)-2-methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid [(2S)-Mdcp].

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