Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0T1IK
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| Former ID |
DNC005822
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| Drug Name |
HYNIC Analogue
|
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
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| Formula |
C53H65N10O9S-
|
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| Canonical SMILES |
CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=NN=NN4CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C5=CN=C(C=C5)N=NCC6=CC=CC=C6S(=O)(=O)[O-]
|
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| InChI |
1S/C53H66N10O9S/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68/h3-10,17-22,24-25,37-39H,11-16,23,26-36,40H2,1-2H3,(H,54,64)(H,55,65)(H,66,67,68)/p-1
|
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| InChIKey |
OPZKREHSQYOWCZ-UHFFFAOYSA-M
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Leukotriene B4 receptor 1 (LTB4R) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Reactome | Leukotriene receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Spinal Cord Injury | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis of leukotriene B4 antagonists labeled with In-111 or Tc-99m to image infectious and inflammatory foci. J Med Chem. 2005 Oct 6;48(20):6442-53. | |||
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