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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 2.7-36 - - 7.791
Enzyme
- 20-35 - 17-20 7.791

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 4 D015179 ClinicalTrials
Colorectal Neoplasms 4 D015179 ClinicalTrials
Colorectal Neoplasms 4 D015179 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Nasopharyngeal Neoplasms 2 D009303 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEBI 90877
ChEMBL CHEMBL65375
FDA SRS 4H59KLQ0A4
PubChem 9903778
SureChEMBL SCHEMBL1682924
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