tipiracil

Ligand id: 8696

Name: tipiracil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 85.29
Molecular weight 242.06
XLogP 0.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (Japan only)
IUPAC Name
5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
International Nonproprietary Names
INN number INN
9500 tipiracil
Synonyms
MA-1 | TAS-1-462
Database Links
CAS Registry No. 183204-74-2 (source: PubChem)
ChEMBL Ligand CHEMBL235668
DrugBank Ligand DB02631
GtoPdb PubChem SID 252166896
PubChem CID 6323266
Search Google for chemical match using the InChIKey QQHMKNYGKVVGCZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QQHMKNYGKVVGCZ
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Search UniChem for chemical match using the InChIKey QQHMKNYGKVVGCZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QQHMKNYGKVVGCZ
Wikipedia Tipiracil
Comments
Tipracil inhibits thymidine phosphorylase (TYMP, P19971; a.k.a. platelet-derived endothelial cell growth factor), an enzyme which metabolises trifluridine.
TAS-102 contains tipracil as the hydrochloride salt (PubChem CID 9903778).