Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01434
|
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| Drug Name |
Trimetrexate
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| 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
|
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| Drug Type |
Small molecular drug
|
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| Indication | Pneumocystis carinii pneumonia [ICD11:CA40.20] | Approved | [1] | |||
| Therapeutic Class |
Antifungal Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C19H23N5O3
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| Canonical SMILES |
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
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| InChI |
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)
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| InChIKey |
NOYPYLRCIDNJJB-UHFFFAOYSA-N
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| CAS Number |
CAS 52128-35-5
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| Pharmaceutical Properties | Molecular Weight | 369.4 | Topological Polar Surface Area | 118 | ||
| Heavy Atom Count | 27 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
2.5
|
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| PubChem CID | ||||||
| PubChem SID |
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
|
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| ChEBI ID |
CHEBI:9737
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | Trimetrexate was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Mutant Gly482 and Thr482 ABCG2 mediate high-level resistance to lipophilic antifolates. Cancer Chemother Pharmacol. 2006 Dec;58(6):826-34. | |||||
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