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CHEBI:759833 - ocadusertib
| Formula | C25H25N5O4 |
| Net Charge | 0 |
| Average Mass | 459.506 |
| Monoisotopic Mass | 459.19065 |
| SMILES | CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)n2)COc2ccc(C#CC(C)(C)O)cc21 |
| InChI | InChI=1S/C25H25N5O4/c1-25(2,33)12-11-17-9-10-20-19(13-17)30(3)24(32)18(15-34-20)26-23(31)22-27-21(28-29-22)14-16-7-5-4-6-8-16/h4-10,13,18,33H,14-15H2,1-3H3,(H,26,31)(H,27,28,29)/t18-/m0/s1 |
| InChIKey | SQBZJKIINNRUFC-SFHVURJKSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antipsoriatic A drug used to treat psoriasis. antirheumatic drug A drug used to treat rheumatoid arthritis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ocadusertib (CHEBI:759833) has role anti-inflammatory agent (CHEBI:67079) |
| ocadusertib (CHEBI:759833) has role antipsoriatic (CHEBI:50748) |
| ocadusertib (CHEBI:759833) has role antirheumatic drug (CHEBI:35842) |
| ocadusertib (CHEBI:759833) is a N-acyl-amino acid (CHEBI:51569) |
| INN | Source |
|---|---|
| ocadusertib | WHO MedNet |
| Synonyms | Source |
|---|---|
| LY-3871801 | ChEMBL |
| LY3871801 | ChEMBL |
| R-552 | ChEMBL |
| R552 | ChEMBL |
| Citations |
|---|