Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M6ZF
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| Former ID |
DNC012748
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| Drug Name |
Boc-Asp-Tyr(So3-)-Nle-Gly-Trp-Asp-Phe-NH2
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| Synonyms |
CHEMBL1159915
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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 |
C55H72N10O18S
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| Canonical SMILES |
CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC(=O)C(CCCC)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C
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| InChI |
1S/C55H72N10O18S/c1-6-8-18-37(47(71)62-42(28-44(66)67)51(75)60-39(46(56)70)25-31-15-11-10-12-16-31)58-50(74)41(27-33-30-57-36-20-14-13-17-35(33)36)63-53(77)65-48(72)38(19-9-7-2)59-49(73)40(26-32-21-23-34(24-22-32)83-84(79,80)81)61-52(76)43(29-45(68)69)64-54(78)82-55(3,4)5/h10-17,20-24,30,37-43,57H,6-9,18-19,25-29H2,1-5H3,(H2,56,70)(H,58,74)(H,59,73)(H,60,75)(H,61,76)(H,62,71)(H,64,78)(H,66,67)(H,68,69)(H,79,80,81)(H2,63,65,72,77)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
LWZREZWAQQSATC-NKUVHBIJSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholecystokinin receptor type A (CCKAR) | Target Info | Inhibitor | [1] |
| Gastrin/cholecystokinin type B receptor (CCKBR) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Gastric acid secretion | ||||
| Insulin secretion | ||||
| Pancreatic secretion | ||||
| Panther Pathway | CCKR signaling map ST | |||
| Pathwhiz Pathway | Gastric Acid Production | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Secretion of Hydrochloric Acid in Parietal Cells | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and biological activities of pseudopeptide analogues of the C-terminal heptapeptide of cholecystokinin. On the importance of the peptide ... J Med Chem. 1987 Aug;30(8):1366-73. | |||
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