Compound Detail
CHEMBL566
URACIL 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL566 |
| Name | URACIL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | ISAKRJDGNUQOIC-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
11
Known Names
14
Indications
Molecular Properties
112.1
MW (Da)
-0.94
ALogP
2
HBA
2
HBD
65.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Breast Neoplasms Breast Neoplasms Colorectal Neoplasms Head and Neck Neoplasms Rectal Neoplasms Stomach Neoplasms Urinary Bladder Neoplasms Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Esophageal Neoplasms Liver Neoplasms Squamous Cell Carcinoma of Head and Neck Neoplasms Neoplasms
Activity Summary
IC50 6 meas. best 3.1
Ki 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | Ki | 4.46 | 4.46 | 35000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 3.1 | 2.895 | 800000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | Ki | = | 35000.0 | nM | 4.46 | Binding affinity to CRBN (unknown origin) assessed as inhibition constant by FRE... | 36821822 |
| Unchecked | IC50 | = | 800000.0 | nM | 3.1 | Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5' 32P end... | 37399710 |
| Unchecked | IC50 | = | 2050000.0 | nM | 2.69 | Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5'-FAM-CUU... | 37399710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 3681892 | 10.1021/jm00395a009 | Mus musculus | 3 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 33488967 | 10.1021/acsmedchemlett.0c00440 | Protein cereblon | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37399710 | 10.1016/j.ejmech.2023.115604 | Unchecked | 2 |
| 20004571 | 10.1016/j.bmcl.2009.11.017 | Unchecked | 2 |
| 22409377 | 10.1021/jf300146n | Artemia salina | 1 |
| 874966 | 10.1021/jm00217a009 | W256 | 1 |
| 874966 | 10.1021/jm00217a009 | P388 | 1 |
| 874966 | 10.1021/jm00217a009 | B16 | 1 |
| 27919656 | 10.1016/j.bmcl.2016.11.069 | NON-PROTEIN TARGET | 1 |
| 29254897 | 10.1016/j.bmc.2017.12.011 | Tyrosinase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 20674371 | 10.1016/j.bmc.2010.07.017 | MDCK | 1 |
| 20674371 | 10.1016/j.bmc.2010.07.017 | Influenza B virus | 1 |
| 20674371 | 10.1016/j.bmc.2010.07.017 | Influenza A virus | 1 |
| 19734051 | 10.1016/j.bmc.2009.08.022 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine