EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:131726 - brodimoprim
| Formula | C13H15BrN4O2 |
| Net Charge | 0 |
| Average Mass | 339.193 |
| Monoisotopic Mass | 338.03784 |
| SMILES | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br |
| InChI | InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18) |
| InChIKey | BFCRRLMMHNLSCP-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antibacterial drug A drug used to treat or prevent bacterial infections. EC 1.5.1.3 (dihydrofolate reductase) inhibitor An EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of dihydrofolate reductase (EC 1.5.1.3). |
| Applications: | antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antibacterial drug A drug used to treat or prevent bacterial infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| brodimoprim (CHEBI:131726) has role antibacterial drug (CHEBI:36047) |
| brodimoprim (CHEBI:131726) has role antiinfective agent (CHEBI:35441) |
| brodimoprim (CHEBI:131726) has role EC 1.5.1.3 (dihydrofolate reductase) inhibitor (CHEBI:50683) |
| brodimoprim (CHEBI:131726) is a aminopyrimidine (CHEBI:38338) |
| brodimoprim (CHEBI:131726) is a bromobenzenes (CHEBI:37149) |
| brodimoprim (CHEBI:131726) is a methoxybenzenes (CHEBI:51683) |
| IUPAC Name |
|---|
| 5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine |
| INNs | Source |
|---|---|
| brodimoprim | WHO MedNet |
| brodimoprima | WHO MedNet |
| brodimoprime | WHO MedNet |
| brodimoprimum | WHO MedNet |
| Synonyms | Source |
|---|---|
| Ro 105970 | ChemIDplus |
| Ro 10-5970 | ChemIDplus |
| 2,4-diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D07238 | KEGG DRUG |
| Brodimoprim | Wikipedia |
| 398 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:760113 | Reaxys |
| CAS:56518-41-3 | KEGG DRUG |
| CAS:56518-41-3 | ChemIDplus |
| Citations |
|---|