Drug Information

Drug General Information
Drug ID
D0J5IR
Former ID
DNC010168
Drug Name
Tyr-Pro-Phe-D-Val-Bn
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530314]
Structure
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2D MOL

3D MOL
Formula
C35H43N5O5
Canonical SMILES
CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3<br />CCCN3C(=O)C(CC4=CC=C(C=C4)O)N
InChI
1S/C35H43N5O5/c1-23(2)31(34(44)37-22-26-12-7-4-8-13-26)39-32(42)29(21-24-10-5-3-6-11-24)38-33(43)30-14-9-19-40(30)35(45)28(36)20-25-15-17-27(41)18-16-25/h3-8,10-13,15-18,23,28-31,41H,9,14,19-22,36H2,1-2H3,(H,37,44)(H,38,43)(H,39,42)/t28-,29-,30-,31+/m0/s1
InChIKey
XAWPZZPZRCUIDR-XHPANXIASA-N
PubChem Compound ID
44555371
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [530314]
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 530314Bioorg Med Chem Lett. 2009 Sep 15;19(18):5387-91. Epub 2009 Jul 30.Molecular modeling studies to predict the possible binding modes of endomorphin analogs in mu opioid receptor.
Ref 530314Bioorg Med Chem Lett. 2009 Sep 15;19(18):5387-91. Epub 2009 Jul 30.Molecular modeling studies to predict the possible binding modes of endomorphin analogs in mu opioid receptor.

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