Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00UKA
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| Former ID |
DNC014740
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| Drug Name |
Boc-D-Glu-Tyr(SO3H)-Nle-D-Nle-Trp-Nle-Asp-Phe-NH2
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C61H84N10O18S
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| Canonical SMILES |
CCCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(C<br />C(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CCCC)NC(=O)C<br />(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CCC(=O)O)NC(=O)OC(C)<br />(C)C
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| InChI |
1S/C61H84N10O18S/c1-7-10-21-42(65-57(81)47(32-37-25-27-39(28-26-37)89-90(85,86)87)68-56(80)45(29-30-50(72)73)71-60(84)88-61(4,5)6)53(77)64-43(22-11-8-2)54(78)69-48(33-38-35-63-41-24-17-16-20-40(38)41)58(82)66-44(23-12-9-3)55(79)70-49(34-51(74)75)59(83)67-46(52(62)76)31-36-18-14-13-15-19-36/h13-20,24-28,35,42-49,63H,7-12,21-23,29-34H2,1-6H3,(H2,62,76)(H,64,77)(H,65,81)(H,66,82)(H,67,83)(H,68,80)(H,69,78)(H,70,79)(H,71,84)(H,72,73)(H,74,75)(H,85,86,87)/t42-,43-,44-,45+,46-,47-,48-,49-/m0/s1
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| InChIKey |
JFEDUJOXWDESON-LMZFJFGWSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cholecystokinin receptor type A | 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 | |||||
| REF 1 | J 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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