Drug Information

Drug General Information
Drug ID
D0A8ZS
Former ID
DNC008219
Drug Name
EtBut-RYYRIK-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529208]
Structure
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2D MOL

3D MOL
Formula
C48H78N14O8
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)NC(=O)C(CC)CC
InChI
1S/C48H78N14O8/c1-5-29(4)39(46(70)57-34(40(50)64)17-11-12-24-49)62-43(67)36(19-14-26-56-48(53)54)59-44(68)38(28-31-20-22-33(63)23-21-31)61-45(69)37(27-30-15-9-8-10-16-30)60-42(66)35(18-13-25-55-47(51)52)58-41(65)32(6-2)7-3/h8-10,15-16,20-23,29,32,34-39,63H,5-7,11-14,17-19,24-28,49H2,1-4H3,(H2,50,64)(H,57,70)(H,58,65)(H,59,68)(H,60,66)(H,61,69)(H,62,67)(H4,51,52,55)(H4,53,54,56)/t29-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey
ZOGNSEAXOALIEC-ICJZXESVSA-N
PubChem Compound ID
44456217
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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