1.
Basic properties
Alternative names
MM00270
Methotrexate
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Methotrexate
Molecular weight
454.45 Da
LogP
0.27
2.
2D/3D Structure
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3.
Identifiers
SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InchiKey
FBOZXECLQNJBKD-UHFFFAOYSA-N
ChEBI
44185
ChEMBL
CHEMBL34259
PDB
MTX
Pubchem
126941
Drugbank
DB00563
4.
Related entries
Forms and parent
Similar entries
Tanimoto similarity of at least 0.85.
Behavior on membranes (passive interactions)
Filters
Membranes
Only membranes with available interactions are shown
Methods
Total: 0
| Membrane | Method | Charge | T [°C] | Primary reference | Secondary reference |
|---|---|---|---|---|---|
| No data... | |||||
6.
Interactions with proteins (active interactions)
Total: 0
| Protein | Charge | T [°C] | Primary reference | Secondary reference |
|---|---|---|---|---|
| No data... | ||||