Drug General Information
Drug ID
D0YM8F
Former ID
DNC009528
Drug Name
[D-Asp7,Lys10]N/OFQ(1-13)NH2
Indication Discovery agent Investigative [529593]
Structure
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2D MOL

3D MOL

Formula
C65H107N23O16
Canonical SMILES
CC(C(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(<br />CCCCN)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N<br />C(CCCCN)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O<br />)C(CC2=CC=CC=C2)N)O
InChI
1S/C65H107N23O16/c1-37(55(96)84-45(24-15-29-75-64(71)72)58(99)83-42(54(70)95)21-9-12-26-66)80-57(98)43(22-10-13-27-67)85-59(100)44(23-11-14-28-68)86-60(101)46(25-16-30-76-65(73)74)87-61(102)48(33-52(93)94)82-51(92)36-79-63(104)53(38(2)89)88-62(103)47(32-40-19-7-4-8-20-40)81-50(91)35-77-49(90)34-78-56(97)41(69)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-69H2,1-2H3,(H2,70,95)(H,77,90)(H,78,97)(H,79,104)(H,80,98)(H,81,91)(H,82,92)(H,83,99)(H,84,96)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,93,94)(H4,71,72,75)(H4,73,74,76)/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48+,53-/m0/s1
InChIKey
RZSPAJQVMVZCJC-YRLNDPIWSA-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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