Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01FHK
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| Former ID |
DNC014714
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| Drug Name |
Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-Phe-NH2
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| Synonyms |
CHEMBL384035; Cholecystokinin (27-33), tert-butyloxycarbonyl-nle(28,31)-; Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-Phe-NH2; 98640-66-5; Boc-28,31-nle-cck-7; BDNL; Boc-tyr(SO3H)nle-gly-trp-nle-asp-phenh2; t-Boc(nle(28,31))-cck (27-33); AC1MJ67S; DTXSID90243747; tert-Butyloxycarbonyl-28,31-nle-cholecystokinin (27-33); Cholecystokinin (27-33), tert-butyloxycarbonylnorleucyl(28,31)-; BDBM50016425; tert-Butoxycarbonyltyrosyl(sulfo)-norleucyl-glycyl-tryptophyl-norleucyl-aspartyl-phenylalaninamide
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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 |
C52H69N9O15S
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| Canonical SMILES |
CCCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)OC(C)(C)C
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| InChI |
1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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| InChIKey |
CSXIDZJPJYRGSK-UJKKYYSESA-N
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| CAS Number |
CAS 98640-66-5
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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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