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CHEBI:755660 - itacitinib
| Formula | C26H23F4N9O |
| Net Charge | 0 |
| Average Mass | 553.524 |
| Monoisotopic Mass | 553.19617 |
| SMILES | N#CCC1(n2cc(-c3ncnc4nccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1 |
| InChI | InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35) |
| InChIKey | KTBSXLIQKWEBRB-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antipsoriatic A drug used to treat psoriasis. anti-inflammatory agent Any compound that has anti-inflammatory effects. antirheumatic drug A drug used to treat rheumatoid arthritis. antifibrotic agent Any agent which acts to reduce fibrosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| itacitinib (CHEBI:755660) has role anti-inflammatory agent (CHEBI:67079) |
| itacitinib (CHEBI:755660) has role antifibrotic agent (CHEBI:233423) |
| itacitinib (CHEBI:755660) has role antineoplastic agent (CHEBI:35610) |
| itacitinib (CHEBI:755660) has role antipsoriatic (CHEBI:50748) |
| itacitinib (CHEBI:755660) has role antirheumatic drug (CHEBI:35842) |
| itacitinib (CHEBI:755660) has role immunosuppressive agent (CHEBI:35705) |
| itacitinib (CHEBI:755660) is a aromatic carboxylic acid (CHEBI:33859) |
| itacitinib (CHEBI:755660) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| Synonyms | Source |
|---|---|
| INCB-039110 | ChEMBL |
| INCB039110 | ChEMBL |
| Incb-39110 | ChEMBL |
| Incb39110 | ChEMBL |
| Itacitinib | ChEMBL |
| Citations |
|---|