Drug Information

Drug General Information
Drug ID
D01MFM
Former ID
DNC012874
Drug Name
H-Dmt-D-Arg(NO2)-Phe-Lys(Z)-OH
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527693]
Structure
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2D MOL

3D MOL
Formula
C40H53N9O10
Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)NC<br />(CC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O)N)<br />C)O
InChI
1S/C40H53N9O10/c1-25-20-29(50)21-26(2)30(25)23-31(41)35(51)45-32(17-11-19-43-39(42)48-49(57)58)36(52)47-34(22-27-12-5-3-6-13-27)37(53)46-33(38(54)55)16-9-10-18-44-40(56)59-24-28-14-7-4-8-15-28/h3-8,12-15,20-21,31-34,50H,9-11,16-19,22-24,41H2,1-2H3,(H,44,56)(H,45,51)(H,46,53)(H,47,52)(H,54,55)(H3,42,43,48)/t31?,32-,33+,34+/m1/s1
InChIKey
DTKHPEUFGZLWTF-OYKWTTPJSA-N
PubChem Compound ID
44399025
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [527693]
Delta-type opioid receptor Target Info Inhibitor [527693]
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 527693J Med Chem. 2005 Aug 25;48(17):5608-11.From the potent and selective mu opioid receptor agonist H-Dmt-d-Arg-Phe-Lys-NH(2) to the potent delta antagonist H-Dmt-Tic-Phe-Lys(Z)-OH.
Ref 527693J Med Chem. 2005 Aug 25;48(17):5608-11.From the potent and selective mu opioid receptor agonist H-Dmt-d-Arg-Phe-Lys-NH(2) to the potent delta antagonist H-Dmt-Tic-Phe-Lys(Z)-OH.

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