Drug Information

Drug General Information
Drug ID
D04WRO
Former ID
DNC008233
Drug Name
H-RYYRIK-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529208]
Structure
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2D MOL

3D MOL
Formula
C42H68N14O7
Canonical SMILES
CCC(C)C(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C<br />(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)<br />N)N
InChI
1S/C42H68N14O7/c1-3-25(2)34(40(63)52-30(35(45)58)14-7-8-20-43)56-37(60)31(15-10-22-51-42(48)49)53-38(61)33(24-27-16-18-28(57)19-17-27)55-39(62)32(23-26-11-5-4-6-12-26)54-36(59)29(44)13-9-21-50-41(46)47/h4-6,11-12,16-19,25,29-34,57H,3,7-10,13-15,20-24,43-44H2,1-2H3,(H2,45,58)(H,52,63)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,50)(H4,48,49,51)/t25-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
NJUUHBQLRQTWGG-QQUOXUDESA-N
PubChem Compound ID
44456337
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [529208]
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 529208Bioorg Med Chem. 2008 Mar 1;16(5):2635-44. Epub 2007 Nov 21.Designed modification of partial agonist of ORL1 nociceptin receptor for conversion into highly potent antagonist.
Ref 529208Bioorg Med Chem. 2008 Mar 1;16(5):2635-44. Epub 2007 Nov 21.Designed modification of partial agonist of ORL1 nociceptin receptor for conversion into highly potent antagonist.

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