| BioID | bio29765 |
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| Name | PIRARUBICIN |
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| ChEMBL ID | CHEMBL2354444 |
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| Molecular Formula | C32H37NO12 |
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| Molecular Weight | 627.64 |
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| Molecular Weight (Monoisotopic) | 627.2316 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar9 |
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| Target Name | Neurotensin receptor type 1 (NTSR1) |
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| Synonyms | ADRIAMYCIN, TETRAHYDROPYRANYL|PIRARUBICIN|PIRARUBICINA|PIRARUBICINE|THEPRUBICIN|THP-ADM |
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| Smiles | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 |
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| Inchi | InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21+,22-,31+,32-/m0/s1 |
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| Inchi Key | KMSKQZKKOZQFFG-YXRRJAAWSA-N |
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| Molecular Species | BASE |
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| Targets | 58.0 |
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| Bioactivities | 130.0 |
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| Np Likeness Score | 1.51 |
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| Records Key | ['PIRARUBICIN', 'THP (THP-Doxorubicin)', 'SID50113026', 'SID170465822', 'PIRARUBICINE', 'Pirarubicin', 'Pirarubicin', 'SID144206155', 'SID124893439', 'PIRARUBICIN', 'PIRARUBICIN', 'Pirarubicin', 'PIRARUBICIN', 'Pirarubicin', 'Pirarubicin', 'pirarubicin'] |
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| Records Name | ['PIRARUBICIN', '10-[4-Amino-6-methyl-5-(tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-6,8,11-trihydroxy-8-(2-hydroxy-acetyl)-1-methoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione (THP-Doxorubicin)', 'SID50113026', 'SID170465822', 'PIRARUBICINE', 'Pirarubicin', 'Pirarubicin', 'SID144206155', 'SID124893439', 'PIRARUBICIN', 'PIRARUBICIN', 'Pirarubicin', 'PIRARUBICIN', 'Pirarubicin', 'Pirarubicin', 'pirarubicin'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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