EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:755719 - zunsemetinib
| Formula | C25H22ClF2N5O3 |
| Net Charge | 0 |
| Average Mass | 513.932 |
| Monoisotopic Mass | 513.13792 |
| SMILES | Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |
| InChI | InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3 |
| InChIKey | FQPQMJULRZINPV-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | antirheumatic drug A drug used to treat rheumatoid arthritis. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| zunsemetinib (CHEBI:755719) has role anti-inflammatory agent (CHEBI:67079) |
| zunsemetinib (CHEBI:755719) has role antirheumatic drug (CHEBI:35842) |
| zunsemetinib (CHEBI:755719) has role antiviral agent (CHEBI:22587) |
| zunsemetinib (CHEBI:755719) is a chloropyridine (CHEBI:39173) |
| Synonyms | Source |
|---|---|
| Ati 450 | ChEMBL |
| ATI-450 | ChEMBL |
| ATI450 | ChEMBL |
| CDD-450 | ChEMBL |
| CDD450 | ChEMBL |
| Zunsemetinib | ChEMBL |