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CHEBI:756963 - brepocitinib
| Formula | C18H21F2N7O |
| Net Charge | 0 |
| Average Mass | 389.410 |
| Monoisotopic Mass | 389.17756 |
| SMILES | [H][C@]12CC[C@]([H])(CN(c3ccnc(Nc4cnn(C)c4)n3)C1)N2C(=O)[C@@H]1CC1(F)F |
| InChI | InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 |
| InChIKey | BUWBRTXGQRBBHG-MJBXVCDLSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. anti-inflammatory agent Any compound that has anti-inflammatory effects. renoprotective agent Any compound that is able to prevent damage to the kidneys. antipsoriatic A drug used to treat psoriasis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| brepocitinib (CHEBI:756963) has role anti-inflammatory agent (CHEBI:67079) |
| brepocitinib (CHEBI:756963) has role antipsoriatic (CHEBI:50748) |
| brepocitinib (CHEBI:756963) has role dermatologic drug (CHEBI:50177) |
| brepocitinib (CHEBI:756963) has role renoprotective agent (CHEBI:231911) |
| brepocitinib (CHEBI:756963) is a N-arylpiperazine (CHEBI:46848) |
| INN | Source |
|---|---|
| brepocitinib | WHO MedNet |
| Synonym | Source |
|---|---|
| PF-06700841 | ChEMBL |
| Citations |
|---|