plevitrexed

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Ligands
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	3.48
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

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

Synonyms

ZD 9331 | ZD-9331 | ZD9331

Database Links
CAS Registry No.	153537-73-6
ChEMBL Ligand	CHEMBL126648
GtoPdb PubChem SID	252166490
PubChem CID	213022
Search Google for chemical match using the InChIKey	IEJSCSAMMLUINT-NRFANRHFSA-N
Search Google for chemicals with the same backbone	IEJSCSAMMLUINT
Search PubMed clinical trials	plevitrexed
Search PubMed titles	plevitrexed
Search PubMed titles/abstracts	plevitrexed
Search UniChem for chemical match using the InChIKey	IEJSCSAMMLUINT-NRFANRHFSA-N
Search UniChem for chemicals with the same backbone	IEJSCSAMMLUINT

Comments
Plevitrexed is an orally bioavailable, small molecule, antifolate quinazoline derivative inhibitor of thymidylate synthetase with potential antineoplastic activity [1].

Comments

Plevitrexed is an orally bioavailable, small molecule, antifolate quinazoline derivative inhibitor of thymidylate synthetase with potential antineoplastic activity [1].