Molecule Details
| InChIKey | FBOZXECLQNJBKD-UHFFFAOYSA-N |
|---|---|
| Compound Name | Methotrexate, (A+-)- |
| Canonical SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.69 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 11.9 | pIC50 | TTD_MultiTarget |
| Q582G3 | Tb07.10C21.550 | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) | Pathogen | PF00186 PF00303 | 8.0 | IC50 | ChEMBL |
| P07382 | Leishmania major | Pathogen | PF00186 PF00303 | 7.5 | IC50 | ChEMBL | |
| Q581W1 | Tb08.26N11.790 | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) | Pathogen | PF13561 | 7.3 | IC50 | ChEMBL |