Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P9OL
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| Former ID |
DNC014725
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| Drug Name |
Boc-cyclo-(Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2
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| Synonyms |
CHEMBL273880; Boc-cyclo-(Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C61H83N11O14
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| Canonical SMILES |
CCCCC1C(=O)NC(CCCCNC(=O)CCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCC)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CC=CC=C5)C(=O)N
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| 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
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| InChIKey |
RJGYFDISIBJKFO-UZLGZYMTSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholecystokinin receptor type A (CCKAR) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and binding affinities of cyclic and related linear analogues of CCK8 selective for central receptors. J Med Chem. 1989 Jun;32(6):1184-90. | |||
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