Drug General Information
Drug ID
D0HF0I
Former ID
DNC013811
Drug Name
Tyr-Pro-Phe-Phe-NHCH3
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529480]
Structure
Download
2D MOL

3D MOL

Formula
C33H39N5O5
Canonical SMILES
CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN<br />3C(=O)C(CC4=CC=C(C=C4)O)N
InChI
1S/C33H39N5O5/c1-35-30(40)27(20-22-9-4-2-5-10-22)36-31(41)28(21-23-11-6-3-7-12-23)37-32(42)29-13-8-18-38(29)33(43)26(34)19-24-14-16-25(39)17-15-24/h2-7,9-12,14-17,26-29,39H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,41)(H,37,42)/t26-,27-,28-,29-/m0/s1
InChIKey
WEITVBLLGNOHNQ-DZUOILHNSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [529480]
Delta-type opioid receptor Target Info Inhibitor [529480]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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 releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin 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 TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 529480Bioorg Med Chem. 2008 Jun 15;16(12):6415-22. Epub 2008 May 3.Structure-activity study of endomorphin-2 analogs with C-terminal modifications by NMR spectroscopy and molecular modeling.
Ref 529480Bioorg Med Chem. 2008 Jun 15;16(12):6415-22. Epub 2008 May 3.Structure-activity study of endomorphin-2 analogs with C-terminal modifications by NMR spectroscopy and molecular modeling.

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