Drug Information

Drug General Information
Drug ID
D0I3KG
Former ID
DNC014107
Drug Name
FGGFTGARKSARKKWNQ
Indication Discovery agent Investigative [530249]
Structure
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2D MOL

3D MOL
Formula
C87H135N29O22
Canonical SMILES
CC(C(C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)<br />C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C<br />(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N<br />)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC<br />(=O)CNC(=O)C(CC4=CC=CC=C4)N)O
InChI
1S/C87H135N29O22/c1-47(104-69(122)45-103-84(136)71(49(3)118)116-82(134)62(39-51-22-8-5-9-23-51)106-70(123)44-101-68(121)43-102-74(126)54(91)38-50-20-6-4-7-21-50)72(124)107-59(29-18-36-98-86(94)95)76(128)111-58(28-14-17-35-90)79(131)115-65(46-117)83(135)105-48(2)73(125)108-60(30-19-37-99-87(96)97)77(129)109-56(26-12-15-33-88)75(127)110-57(27-13-16-34-89)78(130)113-63(40-52-42-100-55-25-11-10-24-53(52)55)80(132)114-64(41-67(93)120)81(133)112-61(85(137)138)31-32-66(92)119/h4-11,20-25,42,47-49,54,56-65,71,100,117-118H,12-19,26-41,43-46,88-91H2,1-3H3,(H2,92,119)(H2,93,120)(H,101,121)(H,102,126)(H,103,136)(H,104,122)(H,105,135)(H,106,123)(H,107,124)(H,108,125)(H,109,129)(H,110,127)(H,111,128)(H,112,133)(H,113,130)(H,114,132)(H,115,131)(H,116,134)(H,137,138)(H4,94,95,98)(H4,96,97,99)/t47-,48-,49+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1
InChIKey
URYINPOXJIHSDS-PBUARHPHSA-N
PubChem Compound ID
45267548
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [530249]
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 530249Bioorg Med Chem. 2009 Aug 1;17(15):5683-7. Epub 2009 Jun 13.Discriminatory synergistic effect of Trp-substitutions in superagonist [(Arg/Lys)(14), (Arg/Lys)(15)]nociceptin on ORL1 receptor binding and activation.
Ref 530249Bioorg Med Chem. 2009 Aug 1;17(15):5683-7. Epub 2009 Jun 13.Discriminatory synergistic effect of Trp-substitutions in superagonist [(Arg/Lys)(14), (Arg/Lys)(15)]nociceptin on ORL1 receptor binding and activation.

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