Drug General Information
Drug ID
D08NDP
Former ID
DNC009532
Drug Name
Cyclo[Cys7,Cys10]N/OFQ(1-13)NH2
Indication Discovery agent Investigative [529593]
Structure
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2D MOL

3D MOL

Formula
C61H98N22O14S2
Canonical SMILES
CC(C(C(=O)NCC(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC1=O)CCCN=C(<br />N)N)CCCCN)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(<br />=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=<br />CC=C3)N)O
InChI
1S/C61H98N22O14S2/c1-34(51(89)79-41(21-13-25-70-60(66)67)53(91)78-39(50(65)88)19-9-11-23-62)75-57(95)45-33-99-98-32-44(58(96)81-42(22-14-26-71-61(68)69)54(92)80-40(55(93)82-45)20-10-12-24-63)77-48(87)31-74-59(97)49(35(2)84)83-56(94)43(28-37-17-7-4-8-18-37)76-47(86)30-72-46(85)29-73-52(90)38(64)27-36-15-5-3-6-16-36/h3-8,15-18,34-35,38-45,49,84H,9-14,19-33,62-64H2,1-2H3,(H2,65,88)(H,72,85)(H,73,90)(H,74,97)(H,75,95)(H,76,86)(H,77,87)(H,78,91)(H,79,89)(H,80,92)(H,81,96)(H,82,93)(H,83,94)(H4,66,67,70)(H4,68,69,71)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
InChIKey
ZCRGDVZWIYXXNX-QAOCYNJESA-N
PubChem Compound ID
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [529593]
KEGG Pathway Neuroactive ligand-receptor interaction
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
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 529593J Med Chem. 2008 Aug 14;51(15):4385-7. Epub 2008 Jul 15.High affinity conformationally constrained nociceptin/orphanin FQ(1-13) amide analogues.
Ref 529593J Med Chem. 2008 Aug 14;51(15):4385-7. Epub 2008 Jul 15.High affinity conformationally constrained nociceptin/orphanin FQ(1-13) amide analogues.

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