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:757096 - selitrectinib
| Formula | C20H21FN6O |
| Net Charge | 0 |
| Average Mass | 380.427 |
| Monoisotopic Mass | 380.17609 |
| SMILES | C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1 |
| InChI | InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1 |
| InChIKey | OEBIHOVSAMBXIB-SJKOYZFVSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| selitrectinib (CHEBI:757096) has role antineoplastic agent (CHEBI:35610) |
| selitrectinib (CHEBI:757096) is a pyrazolopyrimidine (CHEBI:38669) |
| INN | Source |
|---|---|
| selitrectinib | WHO MedNet |
| Synonym | Source |
|---|---|
| LOXO-195 | ChEMBL |
| Citations |
|---|