OTERACIL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5VT6420TIG

Structure
InChI Key RYYCJUAHISIHTL-UHFFFAOYSA-N
Smile O=C(O)c1nc(=O)[nH]c(=O)[nH]1
InChI
InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3N3O4
Molecular Weight 157.09
AlogP -1.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 115.91
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 11.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Cholangiocarcinoma 3 D018281 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Head and Neck Neoplasms 3 D006258 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Adenocarcinoma 3 D000230 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Nasopharyngeal Neoplasms 2 D009303 ClinicalTrials
Carcinoma, Neuroendocrine 2 D018278 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Pancreatic Ductal 2 D021441 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Uterine Cervical Neoplasms 1 D002583 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Cross References

Resources Reference
ChEBI 30863
ChEMBL CHEMBL181932
DrugBank DB03209
DrugCentral 2002
EPA CompTox DTXSID9048358
FDA SRS 5VT6420TIG
PubChem 4604
SureChEMBL SCHEMBL464773
ZINC ZINC000013514753
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