TIPIRACIL HYDROCHLORIDE

/static/temp/default.svg Search structure
Synonyms
TPI
Status
Molecule Category Salt-form
UNII 4H59KLQ0A4

Structure

InChI Key KGHYQYACJRXCAT-UHFFFAOYSA-N
Smiles Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl
InChI
InChI=1S/C9H11ClN4O2.ClH/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11;/h11H,1-4H2,(H2,12,13,15,16);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12Cl2N4O2
Molecular Weight 279.13
AlogP 1.11
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 93.33
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Thymidine phosphorylase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 2.7-36 - - -
Enzyme
- 20-35 - 17-20 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 2.7-36 - - -
Homo sapiens
- 23-35 - 17-20 -

Target Conservation

Protein: Thymidine phosphorylase
Description: Thymidine phosphorylase
Organism : Homo sapiens
P19971 ENSG00000025708

Cross References

Resources Reference
ChEBI 90877
ChEMBL CHEMBL65375
FDA SRS 4H59KLQ0A4
SureChEMBL SCHEMBL1682924
CONTENTS