Drug General Information
Drug ID
D03BFH
Former ID
DNC013334
Drug Name
N-alpha-amidino-Tyr(Me)-Pro-Trp-p-Cl-Phe-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528594]
Structure
Download
2D MOL

3D MOL

Formula
C36H41ClN8O5
Canonical SMILES
COC1=CC=C(C=C1)CC(C(=O)N2CCCC2C(=O)NC(CC3=CNC4=CC=CC=C4<br />3)C(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)N)N=C(N)N
InChI
1S/C36H41ClN8O5/c1-50-25-14-10-22(11-15-25)18-30(44-36(39)40)35(49)45-16-4-7-31(45)34(48)43-29(19-23-20-41-27-6-3-2-5-26(23)27)33(47)42-28(32(38)46)17-21-8-12-24(37)13-9-21/h2-3,5-6,8-15,20,28-31,41H,4,7,16-19H2,1H3,(H2,38,46)(H,42,47)(H,43,48)(H4,39,40,44)/t28-,29-,30-,31-/m0/s1
InChIKey
IEBSBPORJZXBGY-ORYMTKCHSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [528594]
Mu-type opioid receptor Target Info Inhibitor [528594]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080: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
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated 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 GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 528594Bioorg Med Chem. 2007 Feb 15;15(4):1694-702. Epub 2006 Dec 12.Endomorphin-1 analogs with enhanced metabolic stability and systemic analgesic activity: design, synthesis, and pharmacological characterization.
Ref 528594Bioorg Med Chem. 2007 Feb 15;15(4):1694-702. Epub 2006 Dec 12.Endomorphin-1 analogs with enhanced metabolic stability and systemic analgesic activity: design, synthesis, and pharmacological characterization.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.