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trimetrexate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| folic acid analogues | 2757 | 52128-35-5 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 85 | mg | P |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 50 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 20 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 3.30 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 45 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.77 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.77 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.05 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 17 hours | Lombardo F, Berellini G, Obach RS |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.457 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 16.596 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 4.721 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.236 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 27.040 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 45.120 | % | High | 1 |
| herg | hERG pIC50 | 5.106 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.050 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 12.706 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 8.480 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT3,AURKA,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP3K21,MAPK10,MAPK7,MET,MTOR,NTRK2,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 33 | |||
| kinase-selectivity-class | AXL,ERBB2,GRK2,MAP2K3,MAP2K6,MAP3K21,PIK3CB,PIK3CD,PRKDC,TTK | 10 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 8.091 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 13.709 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 42.855 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 29.470 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 26.915 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 41.840 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.022 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 30.479 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 68.630 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 21.320 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 184.927 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 17, 1993 | FDA |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | P01AX07 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES Other agents against amoebiasis and other protozoal diseases |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D000964 | Antimetabolites, Antineoplastic |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005493 | Folic Acid Antagonists |
| CHEBI has role | CHEBI:86327 | antifungal drug |
| CHEBI has role | CHEBI:171664 | antiamoebic agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35718 | antifungal agent |
Related Drugs by ATC class:
P01AX Other agents against amoebiasis and other protozoal diseases 9 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pneumocystosis jiroveci pneumonia | indication | 415125002 | DOID:11339 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Pregnancy, function | contraindication | 289908002 | |
| Bone marrow depression | contraindication | 307762000 | |
| Breastfeeding (mother) | contraindication | 413712001 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.3 | Basic |
| pKa2 | 2.49 | Basic |
| pKa3 | 0.09 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Folylpolyglutamate synthase, mitochondrial | Enzyme | WOMBAT-PK | |||||||
| Dihydrofolate reductase | Enzyme | Ki | 8.85 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | INHIBITOR | Ki | 9.15 | CHEMBL | CHEMBL | |||
| Bifunctional dihydrofolate reductase-thymidylate synthase | Enzyme | IC50 | 8.29 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 10.22 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8.52 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 7.57 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 7.38 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 8.72 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8.82 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8.15 | CHEMBL | |||||
| Bifunctional dihydrofolate reductase-thymidylate synthase | Enzyme | Ki | 8.18 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4023899 | VUID |
| N0000171585 | NUI |
| D06238 | KEGG_DRUG |
| 82952-64-5 | SECONDARY_CAS_RN |
| 4020845 | VANDF |
| 4023899 | VANDF |
| C0085176 | UMLSCUI |
| CHEBI:9737 | CHEBI |
| TMQ | PDB_CHEM_ID |
| CHEMBL119 | ChEMBL_ID |
| CHEMBL2218878 | ChEMBL_ID |
| DB01157 | DRUGBANK_ID |
| D016597 | MESH_DESCRIPTOR_UI |
| 5583 | PUBCHEM_CID |
| 7613 | IUPHAR_LIGAND_ID |
| C056321 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5103 | INN_ID |
| UPN4ITI8T4 | UNII |
| 38725 | RXNORM |
| 5635 | MMSL |
| d03169 | MMSL |
| 004411 | NDDF |
| 004412 | NDDF |
| 116544008 | SNOMEDCT_US |
| 372899008 | SNOMEDCT_US |
| 91339009 | SNOMEDCT_US |
| UPN4ITI8T4 | INXIGHT DRUGS |
Pharmaceutical products:
None