Molecule Details
| InChIKey | TVZGACDUOSZQKY-LBPRGKRZSA-N |
|---|---|
| Compound Name | Aminopterin |
| Canonical SMILES | Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08878 |
|---|---|
| Drug Name | Aminopterin |
| CAS Number | 54-62-6 |
| Groups | approved withdrawn |
| ATC Codes | nan |
| Description | Aminopterin is an amino derivative of folic acid, which was once used as an antineoplastic agent in the treatment of pediatric leukemia. In the 1950's its production was discontinued in favor of methotrexate, which is less potent but less toxic. Off label, aminopterin has also been used in the treat... |
Categories: Enzyme Inhibitors Folic Acid Antagonists Heterocyclic Compounds, Fused-Ring Pteridines Pterins
Cross-references: BindingDB: 50367055 ChEBI: 22526 CHEMBL376180 ChemSpider: 148126 D02527 PDB: 04J PubChem:169371 PubChem:175427130 RxCUI: 1440264 Wikipedia: Aminopterin ZINC: ZINC000002036915