| BioID | bio4154 |
|---|
| Name | LENABASUM |
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| ChEMBL ID | CHEMBL456341 |
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| Molecular Formula | C25H36O4 |
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| Molecular Weight | 400.56 |
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| Molecular Weight (Monoisotopic) | 400.2614 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar21 |
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| Target Name | Inflammation pathogenesis (IP) |
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| Synonyms | AJULEMIC ACID|Ajulemic Acid|CPL-7075|CPL7075|CT-3|HU-239|IP-751|JBT-101|LENABASUM|RESUNAB |
|---|
| Smiles | CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21 |
|---|
| Inchi | InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1 |
|---|
| Inchi Key | YCHYFHOSGQABSW-RTBURBONSA-N |
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| Molecular Species | ACID |
|---|
| Targets | 13.0 |
|---|
| Bioactivities | 34.0 |
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| Np Likeness Score | 1.63 |
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| Records Key | ['AJA', '7, CT-3, JBT-101', 'AJA, HU-239, CT-3, IP-751, JBT-101', 'LENABASUM', '2', 'LENABASUM', 'AJA, Ajulemic acid', 'COVC-1760099291'] |
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| Records Name | ['Ajulemic acid', 'Ajulemic acid', 'Ajulemic acid', 'LENABASUM', 'Ajulemic acid', 'LENABASUM', '(6aR,10aR)-3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-Dibenzo(b,d)-pyran-9-carboxylic acid)', 'AJULEMIC ACID'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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