Drug Information

Drug General Information
Drug ID
D09XZM
Former ID
DNC004566
Drug Name
FGGFTCARKCARK
Indication Discovery agent Investigative [526185]
Structure
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2D MOL

3D MOL
Formula
C62H102N22O14S2
Canonical SMILES
CC(C(C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC<br />CCN)C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC<br />CN)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC<br />2=CC=CC=C2)N)O
InChI
1S/C62H102N22O14S2/c1-34(51(89)79-42(22-14-26-71-61(67)68)54(92)78-40(50(66)88)20-10-12-24-63)75-58(96)45(32-99)82-56(94)41(21-11-13-25-64)81-55(93)43(23-15-27-72-62(69)70)80-52(90)35(2)76-59(97)46(33-100)83-60(98)49(36(3)85)84-57(95)44(29-38-18-8-5-9-19-38)77-48(87)31-73-47(86)30-74-53(91)39(65)28-37-16-6-4-7-17-37/h4-9,16-19,34-36,39-46,49,85,99-100H,10-15,20-33,63-65H2,1-3H3,(H2,66,88)(H,73,86)(H,74,91)(H,75,96)(H,76,97)(H,77,87)(H,78,92)(H,79,89)(H,80,90)(H,81,93)(H,82,94)(H,83,98)(H,84,95)(H4,67,68,71)(H4,69,70,72)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
InChIKey
APYUYQWYKXKSOW-JOEKKRFNSA-N
PubChem Compound ID
10986104
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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