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aminopterin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| folic acid analogues | 21 | 54-62-6 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Aminopterin is a folic acid amino derivative with antineoplastic and immunosuppressive properties. It binds competitively to the folate binding site of the enzyme dihydrofolate reductase, blocking tetrahydrofolate synthesis, and resulting in depletion of nucleotide precursors and inhibition of DNA, RNA and protein synthesis.
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MARK4,MTOR,NTRK1,NTRK2,PDK1,PDK2,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 50 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,GRK2,GRK3,MAPK7,PIK3CD,TEK,TTK | 9 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.445 | Moderate | 0.71 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.71 | |
| rat-kpuu-brain | Rat brain Kpuu | 0.005 | % | Moderate | 0.71 |
Approvals:
None
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 |
|---|---|---|
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005493 | Folic Acid Antagonists |
| CHEBI has role | CHEBI:25435 | mutagen |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:50683 | EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| CHEBI has role | CHEBI:50748 | antipsoriatic |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Leukemia, disease | indication | 93143009 | DOID:1240 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.61 | acidic |
| pKa2 | 4.86 | acidic |
| pKa3 | 12.96 | acidic |
| pKa4 | 5.46 | Basic |
| pKa5 | 4.51 | Basic |
| pKa6 | 2.08 | Basic |
| pKa7 | 1.39 | Basic |
| pKa8 | 0.25 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Enzyme | INHIBITOR | IC50 | 4.93 | SCIENTIFIC LITERATURE | EXPERT CURATOR | |||
| Dihydrofolate reductase | Enzyme | IC50 | 8.70 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 7.96 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8.30 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 7.96 | CHEMBL | |||||
| Folylpoly-gamma-glutamate synthetase | Enzyme | Ki | 4.75 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| N0000007861 | NUI |
| D02527 | KEGG_DRUG |
| 1440263 | RXNORM |
| CHEBI:22526 | CHEBI |
| 04J | PDB_CHEM_ID |
| CHEMBL376180 | ChEMBL_ID |
| CHEMBL2104643 | ChEMBL_ID |
| 58602-66-7 | SECONDARY_CAS_RN |
| DB08878 | DRUGBANK_ID |
| JYB41CTM2Q | UNII |
| C0002583 | UMLSCUI |
| D000630 | MESH_DESCRIPTOR_UI |
| 169371 | PUBCHEM_CID |
| 333 | INN_ID |
| 6790004 | SNOMEDCT_US |
| JYB41CTM2Q | INXIGHT DRUGS |
Pharmaceutical products:
None