EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22F9N3O2 |
| Net Charge | 0 |
| Average Mass | 507.397 |
| Monoisotopic Mass | 507.15683 |
| SMILES | O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)CC1 |
| InChI | InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 |
| InChIKey | SQZJGTOZFRNWCX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| Application: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| elcubragistat (CHEBI:756003) has role analgesic (CHEBI:35480) |
| elcubragistat (CHEBI:756003) is a pyrrolidines (CHEBI:38260) |
| INN | Source |
|---|---|
| elcubragistat | WHO MedNet |
| Synonyms | Source |
|---|---|
| ABX-1431 | ChEMBL |
| ABX1431 | ChEMBL |
| Citations |
|---|