| BioID | bio199968 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL503179 |
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| Molecular Formula | C18H14ClNO4 |
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| Molecular Weight | 343.77 |
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| Molecular Weight (Monoisotopic) | 343.0611 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | 2'-Des-Methyl Indomethacin |
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| Smiles | COc1ccc2c(c1)c(CC(=O)O)cn2C(=O)c1ccc(Cl)cc1 |
|---|
| Inchi | InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22) |
|---|
| Inchi Key | DHEMTWWLRLOBKI-UHFFFAOYSA-N |
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| Molecular Species | ACID |
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| Targets | 11.0 |
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| Bioactivities | 19.0 |
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| Np Likeness Score | -0.86 |
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| Records Key | ['20', 2'-des-methyl indomethacin", '35', 'BDBM50293598']" |
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| Records Name | ['2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)acetic acid', 2'-des-methyl indomethacin", '2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)acetic acid', "2'-des-methyl indomethacin::CHEMBL503179::US9346803, Des-methylIndomethacin"]" |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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