EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:757108 - vecabrutinib
| Formula | C22H24ClF4N7O2 |
| Net Charge | 0 |
| Average Mass | 529.926 |
| Monoisotopic Mass | 529.16161 |
| SMILES | NC(=O)[C@H]1CCN(c2ncnc(N)c2F)C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O |
| InChI | InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1 |
| InChIKey | QLRRJMOBVVGXEJ-XHSDSOJGSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vecabrutinib (CHEBI:757108) has role antineoplastic agent (CHEBI:35610) |
| vecabrutinib (CHEBI:757108) is a α-amino acid (CHEBI:33704) |
| INN | Source |
|---|---|
| vecabrutinib | WHO MedNet |
| Synonyms | Source |
|---|---|
| BIIB-062 | ChEMBL |
| BSK-4841 | ChEMBL |
| FP-0182 | ChEMBL |
| FP0182 | ChEMBL |
| SNS-062 | ChEMBL |
| Citations |
|---|