Compound Detail
CHEMBL2311128
TETRAHYDROURIDINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2311128 |
| Name | TETRAHYDROURIDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UCKYOOZPSJFJIZ-XVKVHKPRSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
12
Publications
4
Known Names
10
Indications
Molecular Properties
248.2
MW (Da)
-2.84
ALogP
6
HBA
5
HBD
122.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Anemia, Sickle Cell Carcinoma, Non-Small-Cell Lung Lung Neoplasms Central Nervous System Neoplasms Head and Neck Neoplasms Myelodysplastic Syndromes Neoplasms Lymphoma Lymphoma, Follicular Lymphoma, Non-Hodgkin
Activity Summary
Ki 6 meas. best 7.0
IC50 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytidine deaminase CHEMBL4502 | Ki | 7.0 | 6.7 | 100.0 | 2 |
| Cytidine deaminase CHEMBL4502 | IC50 | 6.95 | 6.71 | 113.0 | 2 |
| Cytidine deaminase CHEMBL2110 | Ki | 6.82 | 6.6267 | 150.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytidine deaminase | Ki | = | 100.0 | nM | 7.0 | Cytidine Deaminase Inhibition in human liver | 7401098 |
| Cytidine deaminase | IC50 | = | 113.0 | nM | 6.95 | Enzymatic Assay: The cytidine deaminase (CDA) enzymatic assay described by Cacci... | - |
| Cytidine deaminase | Ki | = | 150.0 | nM | 6.82 | Compound was tested in vivo for its ability to inhibit mouse kidney cytidine dea... | 3783592 |
| Cytidine deaminase | Ki | = | 220.0 | nM | 6.66 | Cytidine Deaminase Inhibition in mouse Kidney | 7401098 |
| Cytidine deaminase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridi... | 24520856 |
| Cytidine deaminase | Ki | = | 400.0 | nM | 6.4 | Compound was tested for the inhibitory constant for mouse kidney cytidine deamin... | 3735306 |
| Cytidine deaminase | Ki | = | 400.0 | nM | 6.4 | Binding affinity for human cytidine deaminase | 15689149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7401098 | 10.1021/jm00181a001 | Cytidine deaminase | 2 |
| 24520856 | 10.1021/jm401856k | Cytidine deaminase | 2 |
| 24520856 | 10.1021/jm401856k | ADMET | 2 |
| 24520856 | 10.1021/jm401856k | No relevant target | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 3735306 | 10.1021/jm00158a009 | Cytidine deaminase | 1 |
| 3783592 | 10.1021/jm00161a034 | Cytidine deaminase | 1 |
| 15689149 | 10.1021/jm0496279 | Cytidine deaminase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine