plevitrexed

Ligand id: 8278

Name: plevitrexed

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 165.23
Molecular weight 533.21
XLogP 3.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
International Nonproprietary Names
INN number INN
8279 plevitrexed
Synonyms
ZD 9331 | ZD-9331 | ZD9331
Database Links
CAS Registry No. 153537-73-6
ChEMBL Ligand CHEMBL126648
PubChem CID 213022
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Comments
Plevitrexed is an orally bioavailable, small molecule, antifolate quinazoline derivative inhibitor of thymidylate synthetase with potential antineoplastic activity [1].