Drug Information

Drug General Information
Drug ID
D0Z9YE
Former ID
DNC012857
Drug Name
[Tyr-Pro-Phe-NH-]2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527490]
Structure
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2D MOL

3D MOL
Formula
C46H53N7O8
Canonical SMILES
C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CC=CC=C3<br />)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)N5CCCC5C(=O)NC(CC6=CC=CC=<br />C6)C(=O)N
InChI
1S/C46H53N7O8/c47-35(25-31-15-19-33(54)20-16-31)45(60)52-23-7-13-39(52)44(59)50-37(27-30-11-5-2-6-12-30)42(57)51-38(28-32-17-21-34(55)22-18-32)46(61)53-24-8-14-40(53)43(58)49-36(41(48)56)26-29-9-3-1-4-10-29/h1-6,9-12,15-22,35-40,54-55H,7-8,13-14,23-28,47H2,(H2,48,56)(H,49,58)(H,50,59)(H,51,57)/t35-,36-,37-,38-,39-,40-/m0/s1
InChIKey
PMYWZDRRZPJWHV-UNHORJANSA-N
PubChem Compound ID
44390663
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [527490]
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 527490Bioorg Med Chem Lett. 2005 Apr 1;15(7):1847-50.Structure-activity relationship of the novel bivalent and C-terminal modified analogues of endomorphin-2.
Ref 527490Bioorg Med Chem Lett. 2005 Apr 1;15(7):1847-50.Structure-activity relationship of the novel bivalent and C-terminal modified analogues of endomorphin-2.

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