Drug Information

Drug General Information
Drug ID
D05YMD
Former ID
DNC008225
Drug Name
MeBut-RYYRIK-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529208]
Structure
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2D MOL

3D MOL
Formula
C47H76N14O8
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(C)CC
InChI
1S/C47H76N14O8/c1-5-28(3)38(45(69)56-33(39(49)63)16-10-11-23-48)61-42(66)35(18-13-25-55-47(52)53)58-43(67)37(27-31-19-21-32(62)22-20-31)60-44(68)36(26-30-14-8-7-9-15-30)59-41(65)34(17-12-24-54-46(50)51)57-40(64)29(4)6-2/h7-9,14-15,19-22,28-29,33-38,62H,5-6,10-13,16-18,23-27,48H2,1-4H3,(H2,49,63)(H,56,69)(H,57,64)(H,58,67)(H,59,65)(H,60,68)(H,61,66)(H4,50,51,54)(H4,52,53,55)/t28-,29?,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
XDTYNZLRQJEAAQ-QABIKYMTSA-N
PubChem Compound ID
44455999
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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