Drug Information

Drug General Information
Drug ID
D0HL7Q
Former ID
DNC013335
Drug Name
N-alpha-amidino-Tyr(Me)-D-Pro-Gly-Trp-Phe-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528594]
Structure
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2D MOL

3D MOL
Formula
C38H45N9O6
Canonical SMILES
COC1=CC=C(C=C1)CC(C(=O)N2CCCC2C(=O)NCC(=O)NC(CC3=CNC4=C<br />C=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)N)N=C(N)N
InChI
1S/C38H45N9O6/c1-53-26-15-13-24(14-16-26)19-31(46-38(40)41)37(52)47-17-7-12-32(47)36(51)43-22-33(48)44-30(20-25-21-42-28-11-6-5-10-27(25)28)35(50)45-29(34(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,42H,7,12,17-20,22H2,1H3,(H2,39,49)(H,43,51)(H,44,48)(H,45,50)(H4,40,41,46)/t29-,30-,31-,32+/m0/s1
InChIKey
OEGSFHSEWVWDGF-RTNMLALUSA-N
PubChem Compound ID
44428306
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528594]
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 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.

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