| BioID | bio200078 |
|---|
| Name | LASALOCID |
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| ChEMBL ID | CHEMBL145347 |
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| Molecular Formula | C34H54O8 |
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| Molecular Weight | 590.8 |
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| Molecular Weight (Monoisotopic) | 590.3819 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | LASALOCID|LASALOCID A|LASALOCIDE|LASALOCIDO|Lasalocid|NSC-243048|RO 2-2985|RO-2-2985|RO-22985 |
|---|
| Smiles | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C |
|---|
| Inchi | InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1 |
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| Inchi Key | BBMULGJBVDDDNI-OWKLGTHSSA-N |
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| Molecular Species | ACID |
|---|
| Targets | 13.0 |
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| Bioactivities | 30.0 |
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| Np Likeness Score | 1.74 |
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| Records Key | ['lasolicid', 'lasalocid', '22', 'LASALOCID', 'Lasalocid', 'lasalocid', '1, Lasalocid', 'Lasolocid', 'COVC-3360888921'] |
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| Records Name | ['6-{7-[5-Ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydro-pyran-2-yl)-3-methyl-tetrahydro-furan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl}-2-hydroxy-3-methyl-benzoic acid', '6-{7-[5-Ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydro-pyran-2-yl)-3-methyl-tetrahydro-furan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl}-2-hydroxy-3-methyl-benzoic acid', '6-[7-[5-ethyl-5-[5-ethyl-5-hydroxy-6-methyl-(2R,5R,6S)-tetrahydro-2H-2-pyranyl]-3-methyl-(2S,3S,5S)-tetrahydro-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxo-(3R,4S,5S,7R)-nonyl]-2-hydroxy-3-methylbenzoic acid', 'LASALOCID', 'Lasalocid', 'lasalocid', 'Lasalocid acid', 'Lasolocid', 'LASALOCID'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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