Drug General Information
Drug ID
D0P9OL
Former ID
DNC014725
Drug Name
Boc-cyclo-(Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2
Indication Discovery agent Investigative [533338]
Structure
Download
2D MOL

3D MOL

Formula
C61H83N11O14
Canonical SMILES
CCCCC1C(=O)NC(CCCCNC(=O)CCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=<br />C2)O)NC(=O)OC(C)(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC<br />(CCCC)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CC=CC=C5)C(=O)N
InChI
1S/C61H83N11O14/c1-6-8-20-42-53(78)65-44(23-15-16-30-63-50(74)29-28-45(72-60(85)86-61(3,4)5)56(81)69-47(57(82)66-42)32-37-24-26-39(73)27-25-37)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(62)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64,73H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,77)(H,63,74)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,75,76)/t42-,43-,44-,45+,46-,47+,48-,49-/m0/s1
InChIKey
RJGYFDISIBJKFO-UZLGZYMTSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [533338]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretion
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 533338J Med Chem. 1989 Jun;32(6):1184-90.Synthesis and binding affinities of cyclic and related linear analogues of CCK8 selective for central receptors.
Ref 533338J Med Chem. 1989 Jun;32(6):1184-90.Synthesis and binding affinities of cyclic and related linear analogues of CCK8 selective for central receptors.

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