Drug Information

Drug General Information
Drug ID
D0N3GU
Former ID
DNC008614
Drug Name
YPWA-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529365]
Structure
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2D MOL

3D MOL
Formula
C28H34N6O5
Canonical SMILES
CC(C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN3C(=O)<br />C(CC4=CC=C(C=C4)O)N
InChI
1S/C28H34N6O5/c1-16(25(30)36)32-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)33-27(38)24-7-4-12-34(24)28(39)21(29)13-17-8-10-19(35)11-9-17/h2-3,5-6,8-11,15-16,21,23-24,31,35H,4,7,12-14,29H2,1H3,(H2,30,36)(H,32,37)(H,33,38)/t16-,21-,23-,24-/m0/s1
InChIKey
FMYKJNQXBIJPPV-DFQATESRSA-N
PubChem Compound ID
44577305
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [529365]
KEGG Pathway 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
Pathway Interaction Database IL4-mediated signaling events
Reactome 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 signaling
References
Ref 529365Bioorg Med Chem. 2008 Apr 15;16(8):4341-6. Epub 2008 Mar 4.Internalisation of the mu-opioid receptor by endomorphin-1 and leu-enkephalin is dependant on aromatic amino acid residues.
Ref 529365Bioorg Med Chem. 2008 Apr 15;16(8):4341-6. Epub 2008 Mar 4.Internalisation of the mu-opioid receptor by endomorphin-1 and leu-enkephalin is dependant on aromatic amino acid residues.

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