trimetrexate

Ligand id: 7613

Name: trimetrexate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 117.54
Molecular weight 369.18
XLogP 1.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1993))
Withdrawn drug? Yes
IUPAC Name
5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine
International Nonproprietary Names
INN number INN
5103 trimetrexate
Synonyms
CI-898 | Neutrexin® | trimetrexate glucuronate
Database Links
CAS Registry No. 52128-35-5
ChEMBL Ligand CHEMBL119
DrugBank Ligand DB01157
PubChem CID 5583
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Wikipedia Trimetrexate
Comments
Trimetrexate is a quinazoline derivative dihydrofolate reductase inhibitor [6]. Chemically it is a methotrexate (MTX) analogue.