methotrexate

Ligand id: 4815

Name: methotrexate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 210.54
Molecular weight 454.17
XLogP -2.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Comments
Methotrexate is a DMARD prescribed for rheumatoid arthritis, psoriatic arthritis and vasculitis.
Immunopharmacology Disease
Disease X-Refs Comment References
Vasculitis Disease Ontology: DOID:865
Approved drug for vasculitis.
Rheumatoid arthritis Disease Ontology: DOID:7148
OMIM: 180300
Approved drug for RA.
Psoriatic arthritis Disease Ontology: DOID:9008
Approved drug for PsA.
Juvenile idiopathic arthritis Oral solution of methotrexate approved for JIA in pediatric pateints.