| BioID | bio35832 |
|---|
| Name | APREMILAST |
|---|
| ChEMBL ID | CHEMBL514800 |
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| Molecular Formula | C22H24N2O7S |
|---|
| Molecular Weight | 460.51 |
|---|
| Molecular Weight (Monoisotopic) | 460.1304 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar2 |
|---|
| Target Name | Phosphodiesterase 2A (PDE2A) |
|---|
| Synonyms | APREMILAST|CC-10004|CC10004|Otezla |
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| Smiles | CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC |
|---|
| Inchi | InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1 |
|---|
| Inchi Key | IMOZEMNVLZVGJZ-QGZVFWFLSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 78.0 |
|---|
| Bioactivities | 152.0 |
|---|
| Np Likeness Score | -1.1 |
|---|
| Records Key | ['1S', 'APREMILAST', 'APREMILAST', 'APREMILAST', 'Apremilast (CC-10004)', 'APREMILAST', 'Apremilast (CC-10004)', 'Apremilast', 'Apremilast', '30', 'Apremilast', 'APREMILAST', '2', 'APREMILAST', 'APREMILAST (CC-10004)', 'Apremilast', 'Apremilast', 'Apremilast', 'APREMILAST', 'Apremilast', '3', 'Apremilast', 'Apremilast (CC-10004)', 'Apremilast', 'apremilast', 'APREMILAST'] |
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| Records Name | ['(S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide', 'APREMILAST', 'APREMILAST', 'APREMILAST', 'Apremilast (CC-10004)', 'APREMILAST', 'Apremilast (CC-10004)', 'Apremilast', 'Apremilast', 'Apremilast', 'Apremilast', 'APREMILAST', 'Apremilast', 'APREMILAST', 'APREMILAST (CC-10004)', 'Apremilast', 'Apremilast', 'Apremilast', 'APREMILAST', 'Apremilast', 'Apremilast', 'Apremilast', 'Apremilast (CC-10004)', 'Apremilast', 'apremilast', 'APREMILAST'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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