Drug General Information
Drug ID
D0S9UH
Former ID
DNC014133
Drug Name
ZYKLOPHIN
Indication Discovery agent Investigative [530428]
Structure
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2D MOL

3D MOL

Formula
C65H96N20O13
Canonical SMILES
CCC(C)C1C(=O)NC(CNC(=O)CC(C(=O)NC(C(=O)N1)CCCN=C(N)N)NC<br />(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)<br />O)NCC4=CC=CC=C4)C(=O)NC(CCCN=C(N)N)C(=O)N5CCCC5C(=O)NC(<br />CCCCN)C(=O)N
InChI
1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38?,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
InChIKey
UWLIKQFWZOPOAX-HRFULILYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [530428]
Kappa-type opioid receptor Target Info Inhibitor [530428]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04080:Neuroactive ligand-receptor interaction
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
Opioid prodynorphin 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 530428J Med Chem. 2009 Nov 12;52(21):6814-21.The effects of C-terminal modifications on the opioid activity of [N-benzylTyr(1)]dynorphin A-(1-11) analogues.
Ref 530428J Med Chem. 2009 Nov 12;52(21):6814-21.The effects of C-terminal modifications on the opioid activity of [N-benzylTyr(1)]dynorphin A-(1-11) analogues.

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