pemetrexed

Ligand id: 6837

Name: pemetrexed

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 10
Topological polar surface area 186.64
Molecular weight 428.16
XLogP -0.99
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2004), EMA (2009))
IUPAC Name
(2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
International Nonproprietary Names
INN number INN
7675 pemetrexed
Synonyms
Alimta® | LY-231514
Database Links
CAS Registry No. 137281-23-3
ChEMBL Ligand CHEMBL1201258
DrugBank Ligand DB00642
PubChem CID 60843
Search Google for chemical match using the InChIKey WBXPDJSOTKVWSJ-CYBMUJFWSA-N
Search Google for chemicals with the same backbone WBXPDJSOTKVWSJ
Search PubMed clinical trials pemetrexed
Search PubMed titles pemetrexed
Search PubMed titles/abstracts pemetrexed
Search UniChem for chemical match using the InChIKey WBXPDJSOTKVWSJ-CYBMUJFWSA-N
Search UniChem for chemicals with the same backbone WBXPDJSOTKVWSJ
Wikipedia Pemetrexed
Comments
Inhibits dihydrofolate reductase, GAR transformylase and thymidylate synthase.
Marketed formulations may contain pemetrexed disodium (PubChem CID 46931002).