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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 |
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| 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: | 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). drug allergen Any drug which causes the onset of an allergic reaction. antibacterial drug A drug used to treat or prevent bacterial infections. 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. |
| Applications: | 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. antibacterial drug A drug used to treat or prevent bacterial infections. |
| 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 |
|---|---|
| 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine | NIST Chemistry WebBook |
| 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine | NIST Chemistry WebBook |
| Proloprim | ChemIDplus |
| Trimethoprim | KEGG COMPOUND |
| TRIMETHOPRIM | PDBeChem |
| Trimpex | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 1745 | VSDB |
| 2755 | DrugCentral |
| C01965 | KEGG COMPOUND |
| D00145 | KEGG DRUG |
| DB00440 | DrugBank |
| HMDB0014583 | HMDB |
| LSM-5246 | LINCS |
| TOP | PDBeChem |
| Trimethoprim | Wikipedia |
| Citations |
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