Drug Information

Drug General Information
Drug ID
D0Y0IE
Former ID
DNC004577
Drug Name
FGGFTGARKSARKL
Indication Discovery agent Investigative [526185]
Structure
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2D MOL

3D MOL
Formula
C67H111N23O16
Canonical SMILES
CC(C)CC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C<br />(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(<br />C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=<br />O)CNC(=O)C(CC2=CC=CC=C2)N
InChI
1S/C67H111N23O16/c1-37(2)30-48(55(71)96)88-61(102)44(22-12-14-26-68)86-60(101)47(25-17-29-77-67(74)75)85-57(98)39(4)82-64(105)50(36-91)89-62(103)45(23-13-15-27-69)87-59(100)46(24-16-28-76-66(72)73)84-56(97)38(3)81-52(94)35-80-65(106)54(40(5)92)90-63(104)49(32-42-20-10-7-11-21-42)83-53(95)34-78-51(93)33-79-58(99)43(70)31-41-18-8-6-9-19-41/h6-11,18-21,37-40,43-50,54,91-92H,12-17,22-36,68-70H2,1-5H3,(H2,71,96)(H,78,93)(H,79,99)(H,80,106)(H,81,94)(H,82,105)(H,83,95)(H,84,97)(H,85,98)(H,86,101)(H,87,100)(H,88,102)(H,89,103)(H,90,104)(H4,72,73,76)(H4,74,75,77)/t38-,39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
InChIKey
LZQNOYOFRMAEJW-SYMNRJDYSA-N
PubChem Compound ID
44352919
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [526185]
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 526185J Med Chem. 2001 Nov 8;44(23):4015-8.Structure-activity studies on nociceptin analogues: ORL1 receptor binding and biological activity of cyclic disulfide-containing analogues of nociceptin peptides.
Ref 526185J Med Chem. 2001 Nov 8;44(23):4015-8.Structure-activity studies on nociceptin analogues: ORL1 receptor binding and biological activity of cyclic disulfide-containing analogues of nociceptin peptides.

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