Drug General Information
Drug ID
D0JX3P
Former ID
DNC008612
Drug Name
YAWF-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529365]
Structure
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2D MOL

3D MOL

Formula
C32H36N6O5
Canonical SMILES
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O<br />)N)NC(=O)C(CC4=CC=C(C=C4)O)N
InChI
1S/C32H36N6O5/c1-19(36-31(42)25(33)15-21-11-13-23(39)14-12-21)30(41)38-28(17-22-18-35-26-10-6-5-9-24(22)26)32(43)37-27(29(34)40)16-20-7-3-2-4-8-20/h2-14,18-19,25,27-28,35,39H,15-17,33H2,1H3,(H2,34,40)(H,36,42)(H,37,43)(H,38,41)/t19-,25-,27-,28-/m0/s1
InChIKey
AXMWRKQKSXEZPQ-VCJXGGRGSA-N
PubChem Compound ID
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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