PEP - methotrexate
RCSB PDB Ligand - MTX
CAS Registry No. - 59-05-2
ChEBI - CHEBI:44185
ChEMBL Ligand - CHEMBL34259
DrugBank Ligand - DB00563
PubChem CID - 126941
Wikipedia - Methotrexate
DrugCentral Ligand - 1751
methotrexate
Structure
Molecular Details
| Molecular mass (Da) | 454.17133 |
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 5 |
| Polar surface area (A2) | 210.54 |
| Lipinski rules broken | 1 |
| logP | -2.583 |
Other Details
| Ligand type | Synthetic organic |
| Radiolabelled | No |
| Approved | Yes |
| Approval Source | FDA (1953) |
Responsive Sequences