e-Drug3D

1413

TRIMETREXATE

DISCONTINUED

INN
TRIMETREXATE

cas 52128-35-5

CLASS

ANTIPARASITIC
ANTINEOPLASTIC
ANTIPROTOZOALS
ANTIBIOTICS
ANTIFUNGAL AGENTS
FOLIC ACID ANTAGONISTS
INHIBITOR
TREATMENT OF MODERATE-TO-SEVERE PNEUMOCYSTIS CARINII PNEUMONIA (PCP) IN IMMUNOCOMPROMISED PATIENTS, INCLUDING PATIENTS WITH THE ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS)

ROUTE (list)

INJECTION

ATC code

P01AX07

PK parameters

VD 34.6 LITER
Cl 3.9 LITER / HOUR
PPB 95 PERCENT
t1/2 11 HOUR

Solubility

TRIMETREXATE GLUCURONATE IS SOLUBLE IN WATER (> 50 MILLIGRAM / MILLILITER) WHEREAS TRIMETREXATE FREE BASE IS PRACTICALLY INSOLUBLE IN WATER (< 0.1 MILLIGRAM / MILLILITER)

Target

TARGET DIHYDROFOLATE REDUCTASE (DHFR)

PDB
1BZF (NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE WITH THE NEW LIPOPHILIC ANTIFOLATE DRUG TRIMETREXATE)

Ligand code = TMQ (link to the list of PDB complexes)

Download experimental 3D coordinates of TMQ with added hydrogens

DrugCentral

Dihydrofolate reductase UNIPROT P16184

Download SDF file

5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine

Formula:
C19H23N5O3

Calculated chemical properties:

MW 369.42
NB_atoms 27
XLogP 2.74
PSA 110.357
NB_HD 5
NB_HA 8
fsp3 0.26
Lipinski(0=no;1=yes) 1

FDA
NDA 020326 (label) INN (TRIMETREXATE GLUCURONATE) NEUTREXIN (MEDIMMUNE ONCOLOGY) APPROVAL= AP YEAR= 1993 NEWMOLECULARENTITY DISCONTINUED