Drug Information

Drug General Information
Drug ID
D03BVN
Former ID
DNC008222
Drug Name
2-MePen-RYYRIK-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529208]
Formula
C48H78N14O8
Canonical SMILES
CCCC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(<br />CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)<br />NC(CCCCN)C(=O)N
InChI
1S/C48H78N14O8/c1-5-14-30(4)41(65)58-35(18-12-25-55-47(51)52)42(66)60-37(27-31-15-8-7-9-16-31)45(69)61-38(28-32-20-22-33(63)23-21-32)44(68)59-36(19-13-26-56-48(53)54)43(67)62-39(29(3)6-2)46(70)57-34(40(50)64)17-10-11-24-49/h7-9,15-16,20-23,29-30,34-39,63H,5-6,10-14,17-19,24-28,49H2,1-4H3,(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-,30?,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey
TYNKFZNKNQQZMB-GUICQBDJSA-N
PubChem Compound ID
44456298
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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