pralatrexate

Ligand id: 6840

Name: pralatrexate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 11
Topological polar surface area 207.3
Molecular weight 477.18
XLogP -0.63
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name
(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid
International Nonproprietary Names
INN number INN
8560 pralatrexate
Synonyms
Folotyn® | PDX
Database Links
CAS Registry No. 146464-95-1
ChEMBL Ligand CHEMBL1201746
DrugBank Ligand DB06813
PubChem CID 148121
Search Google for chemical match using the InChIKey OGSBUKJUDHAQEA-WMCAAGNKSA-N
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Search UniChem for chemical match using the InChIKey OGSBUKJUDHAQEA-WMCAAGNKSA-N
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Wikipedia Pralatrexate
Comments
Inhibits dihydrofolate reductase, GAR transformylase and thymidylate synthase. The INN document specifies that pralatrexate is a racemic mixture of two epimers. These epimers are represented by the PubChem entries CID 23230419 and CID 11155808. We do not specify stereochemistry at the carbon atom which determines the two epimers, therefore our image represents the mixture.