Molecule Details
| InChIKey | ZUQBAQVRAURMCL-DOMZBBRYSA-N |
|---|---|
| Compound Name | Lometrexol |
| Canonical SMILES | Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.11 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12769 |
|---|---|
| Drug Name | Lometrexol |
| CAS Number | 106400-81-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Lometrexol has been used in trials studying the treatment of Lung Cancer, Drug/Agent Toxicity by Tissue/Organ, and Unspecified Adult Solid Tumor, Protocol Specific. |
Categories: Antimetabolites Antineoplastic Agents Coenzymes Enzyme Inhibitors Enzymes and Coenzymes Folic Acid Analogues Folic Acid Antagonists Heterocyclic Compounds, Fused-Ring Noxae Pteridines Pterins Toxic Actions
Cross-references: BindingDB: 22590 CHEMBL34412 ChemSpider: 130593 PDB: DDF PubChem:148138 PubChem:347828954 ZINC: ZINC000008577213
Target Activities (2)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P0ABQ4 | folA | Dihydrofolate reductase | binder | targets |