TIPIRACIL HYDROCHLORIDE

Search structure
Synonyms:
TPI
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4H59KLQ0A4

Structure
InChI Key KGHYQYACJRXCAT-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Thymidine phosphorylase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 3-36 - - -
Enzyme
- 20-35 - 17-20 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rectal Neoplasms 1 D012004 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials

Cross References

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