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CHEBI:45924 - trimethoprim
| Formula | C14H18N4O3 |
| Net Charge | 0 |
| Average Mass | 290.323 |
| Monoisotopic Mass | 290.13789 |
| SMILES | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |
| InChI | InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) |
| InChIKey | IEDVJHCEMCRBQM-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. 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. drug allergen Any drug which causes the onset of an allergic reaction. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. 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: | antibacterial drug A drug used to treat or prevent bacterial infections. diuretic An agent that promotes the excretion of urine through its effects on kidney function. drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trimethoprim (CHEBI:45924) has role antibacterial drug (CHEBI:36047) |
| trimethoprim (CHEBI:45924) has role diuretic (CHEBI:35498) |
| trimethoprim (CHEBI:45924) has role drug allergen (CHEBI:88188) |
| trimethoprim (CHEBI:45924) has role EC 1.5.1.3 (dihydrofolate reductase) inhibitor (CHEBI:50683) |
| trimethoprim (CHEBI:45924) has role environmental contaminant (CHEBI:78298) |
| trimethoprim (CHEBI:45924) has role xenobiotic (CHEBI:35703) |
| trimethoprim (CHEBI:45924) is a aminopyrimidine (CHEBI:38338) |
| trimethoprim (CHEBI:45924) is a methoxybenzenes (CHEBI:51683) |
| Incoming Relation(s) |
| 6-chlorotrimethoprim (CHEBI:351351) has functional parent trimethoprim (CHEBI:45924) |
| 6-hydroxytrimethoprim (CHEBI:58969) has functional parent trimethoprim (CHEBI:45924) |
| co-trimoxazole (CHEBI:3770) has part trimethoprim (CHEBI:45924) |
| 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl group (CHEBI:55508) is substituent group from trimethoprim (CHEBI:45924) |
| IUPAC Name |
|---|
| 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine |
| Synonyms | Source |
|---|---|
| Trimethoprim | KEGG COMPOUND |
| Proloprim | ChemIDplus |
| Trimpex | ChemIDplus |
| 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine | NIST Chemistry WebBook |
| TRIMETHOPRIM | PDBeChem |
| 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C01965 | KEGG COMPOUND |
| TOP | PDBeChem |
| D00145 | KEGG DRUG |
| Trimethoprim | Wikipedia |
| DB00440 | DrugBank |
| HMDB0014583 | HMDB |
| LSM-5246 | LINCS |
| 2755 | DrugCentral |
| 1745 | VSDB |
| Citations |
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