Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Y7TS
|
|||
| Former ID |
DAP000635
|
|||
| Drug Name |
Trimetrexate
|
|||
| Synonyms |
TMQ; Trimetrexato; Trimetrexatum; JB 11; Jb-11; Trimetrexato [INN-Spanish]; Trimetrexatum [INN-Latin]; Trimetrexate (USAN/INN); Trimetrexate [USAN:BAN:INN]; 2,4-Diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline; 5-Methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine; 5-methyl-6-({[3,4,5-tris(methyloxy)phenyl]amino}methyl)quinazoline-2,4-diamine; 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine; 6-[((3,4,5-Trimethoxyphenyl)amino)methyl]-5-methyl-2,4-quinazolinediamine
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Toxoplasmosis [ICD-11: 1F57; ICD-10: B58] | Approved | [1] | |
| Therapeutic Class |
Antifungal Agents
|
|||
| Company |
Medimmune Oncology Inc
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C19H23N5O3
|
|||
| Canonical SMILES |
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
|
|||
| InChI |
1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
|
|||
| InChIKey |
NOYPYLRCIDNJJB-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 52128-35-5
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
13336, 136953, 596038, 6646166, 7980836, 8153437, 12012739, 14803927, 26755046, 29224621, 46505247, 46518373, 47207896, 48416673, 50064855, 50110873, 53787691, 56435904, 57322856, 58106635, 78747684, 93166287, 96021815, 103181342, 104309650, 124892340, 124892341, 128733693, 134337925, 135000788, 137002678, 142433670, 160964491, 162973724, 164784678, 172916567, 179117157, 198941687, 223365948, 223366334, 223773875, 226396064
|
|||
| ChEBI ID |
CHEBI:9737
|
|||
| ADReCS Drug ID | BADD_D02292 | |||
| SuperDrug ATC ID |
P01AX07
|
|||
| SuperDrug CAS ID |
cas=052128355
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Polypeptide deformylase (PDF) | Target Info | Inhibitor | [2], [3] |
| Pathwhiz Pathway | Folate Metabolism | |||
| Pterine Biosynthesis | ||||
| Reactome | E2F mediated regulation of DNA replication | |||
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | ||||
| Metabolism of folate and pterines | ||||
| G1/S-Specific Transcription | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
| REF 2 | Expression and characterization of recombinant human-derived Pneumocystis carinii dihydrofolate reductase. Antimicrob Agents Chemother. 2000 Nov;44(11):3092-6. | |||
| REF 3 | Synthesis and biological activities of tricyclic conformationally restricted tetrahydropyrido annulated furo[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases. J Med Chem. 1998 Apr 23;41(9):1409-16. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.