raltitrexed

Ligand id: 7403

Name: raltitrexed

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 176.31
Molecular weight 459.13
XLogP 1.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2009))
IUPAC Name
(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
International Nonproprietary Names
INN number INN
7319 raltitrexed
Synonyms
ICI-D-1694 | Tomudex® | ZD1694
Database Links
CAS Registry No. 112887-68-0
ChEMBL Ligand CHEMBL225071
DrugBank Ligand DB00293
PubChem CID 104758
RCSB PDB Ligand D16
Search Google for chemical match using the InChIKey IVTVGDXNLFLDRM-HNNXBMFYSA-N
Search Google for chemicals with the same backbone IVTVGDXNLFLDRM
Search PubMed clinical trials raltitrexed
Search PubMed titles raltitrexed
Search PubMed titles/abstracts raltitrexed
Search UniChem for chemical match using the InChIKey IVTVGDXNLFLDRM-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone IVTVGDXNLFLDRM
SynPHARM 79619 (in complex with thymidylate synthetase)
79620 (in complex with thymidylate synthetase)
Wikipedia Raltitrexed
Comments
Raltitrexed is an antimetabolite drug.