| BioID | bio200530 |
|---|
| Name | OBATOCLAX MESYLATE |
|---|
| ChEMBL ID | CHEMBL2107358 |
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| Molecular Formula | C21H23N3O4S |
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| Molecular Weight | 413.5 |
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| Molecular Weight (Monoisotopic) | 317.1528 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | GX-15-070MS|GX15-070MS|OBATOCLAX|OBATOCLAX MESILATE|OBATOCLAX MESYLATE |
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| Smiles | COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C.CS(=O)(=O)O |
|---|
| Inchi | InChI=1S/C20H19N3O.CH4O3S/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;1-5(2,3)4/h4-11,21-22H,1-3H3;1H3,(H,2,3,4)/b19-10-; |
|---|
| Inchi Key | ZFKXDVMHNXPEIY-PEZBNFGJSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 663.0 |
|---|
| Bioactivities | 663.0 |
|---|
| Np Likeness Score | -0.15 |
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| Records Key | ['7, obatoclax', 'OBATOCLAX MESYLATE', 'Obatoclax Mesylate', 'OBATOCLAX MESYLATE'] |
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| Records Name | ['(2-[2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl]-1H-indole methanesulfonate', 'OBATOCLAX MESYLATE', 'Obatoclax Mesylate', 'OBATOCLAX MESYLATE'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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