METHOTREXATE Next Previous

ChEMBL ID CHEMBL34259
PubChem CID 126941
DrugBank Accession Number DB00563
ClinicalTrials METHOTREXATE
Molecular Formula C20H22N8O5
Inchikey FBOZXECLQNJBKD-ZDUSSCGKSA-N

Smiles
CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Synonyms
TCMDC-125858, TCMDC-125488, SID50104778, SID124886991, Trexall, CL-14377, SID90340825, SID11113978, Mexate, SID26752122, SID144204495, Methylaminopterin, SID50104777, SID56463665, SID26752121, Amethopterin, TCMDC-123832, SID67627, SID26752120, Methotrexate, Abitrexate, Folex, Mexate-AQ, Rheumatrex

Libraries
O'Brien, ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species ACID
Molecular Properties
Molecular Weight 454.44
Rotatable Bonds 9
Acidic pKa (ACD) 3.47
Basic pKa (ACD) 5.55
LogP (ACD) -0.45
LogD (ACD) -5.1
ALogP 0.11
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