| BioID | bio3404 |
|---|
| Name | SELPERCATINIB |
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| ChEMBL ID | CHEMBL4559134 |
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| Molecular Formula | C29H31N7O3 |
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| Molecular Weight | 525.61 |
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| Molecular Weight (Monoisotopic) | 525.2488 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar18 |
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| Target Name | Serine/threonine-protein kinase cot (COT) |
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| Synonyms | LOXO-292|LY-3527723|LY3527723|RET INHIBITOR LOXO-292|RETEVMO|Retsevmo|SELPERCATINIB |
|---|
| Smiles | COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1 |
|---|
| Inchi | InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 |
|---|
| Inchi Key | XIIOFHFUYBLOLW-UHFFFAOYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 6.0 |
|---|
| Bioactivities | 25.0 |
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| Np Likeness Score | -1.27 |
|---|
| Records Key | ['SELPERCATINIB', 'LOXO-292', 'LOXO-292', 'SELPERCATINIB', 'SELPERCATINIB', 'SELPERCATINIB', '5', 'Selpercatinib', 'SELPERCATINIB', 'Selpercatinib', 'Selpercatinib'] |
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| Records Name | ['SELPERCATINIB', 'LOXO-292', 'LOXO-292', 'SELPERCATINIB', 'SELPERCATINIB', 'SELPERCATINIB', 'Selpercatinib', 'Selpercatinib', 'SELPERCATINIB', '6-(2-hydroxy-2-methyl-propoxy)-4-[6-[6-[(6-methoxy-3-pyridyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridyl]pyrazolo[1,5-a]pyridine-3-carbonitrile', 'Selpercatinib'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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