Drug Information

Drug General Information
Drug ID
D0J9DO
Former ID
DNC012858
Drug Name
[Tyr-Pro-Phe-NH-CH2-]2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527490]
Structure
Download
2D MOL

3D MOL
Formula
C48H57N7O8
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)CCNC(CC4=CC=C(C=C4)O)C(=O)N5CCCC5C(=O)NC(CC6=CC=C<br />C=C6)C(=O)N
InChI
1S/C48H57N7O8/c49-37(27-33-15-19-35(56)20-16-33)47(62)54-25-7-13-41(54)45(60)52-38(28-31-9-3-1-4-10-31)43(58)23-24-51-40(30-34-17-21-36(57)22-18-34)48(63)55-26-8-14-42(55)46(61)53-39(44(50)59)29-32-11-5-2-6-12-32/h1-6,9-12,15-22,37-42,51,56-57H,7-8,13-14,23-30,49H2,(H2,50,59)(H,52,60)(H,53,61)/t37-,38-,39-,40-,41-,42-/m0/s1
InChIKey
SDEZJRFUZMVTCN-UJKKYYSESA-N
PubChem Compound ID
44390664
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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