EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:134742 - delamanid
| Formula | C25H25F3N4O6 |
| Net Charge | 0 |
| Average Mass | 534.491 |
| Monoisotopic Mass | 534.17262 |
| SMILES | C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 |
| InChI | InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1 |
| InChIKey | XDAOLTSRNUSPPH-XMMPIXPASA-N |
| Roles Classification |
|---|
| Biological Role: | antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. |
| Application: | antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| delamanid (CHEBI:134742) has role antitubercular agent (CHEBI:33231) |
| delamanid (CHEBI:134742) is a organic molecular entity (CHEBI:50860) |
| delamanid (CHEBI:134742) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| Delamanid | ChEMBL |
| deltyba | DrugCentral |
| Opc 67683 | ChEMBL |
| OPC-67683 | DrugCentral |
| OPC67683 | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 4819 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:681492-22-8 | DrugCentral |
| Citations |
|---|