Compound Detail
CHEMBL2311129
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Basic Information
| ChEMBL ID | CHEMBL2311129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHDXLNWQRHMXSE-KFUBRKPTSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
-2.80
ALogP
6
HBA
5
HBD
122.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytidine deaminase CHEMBL2110 | Ki | 7.7 | 7.0333 | 20.0 | 3 |
| Cytidine deaminase CHEMBL4502 | Ki | 7.4 | 6.95 | 40.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytidine deaminase | Ki | = | 20.0 | nM | 7.7 | Cytidine Deaminase Inhibition in mouse Kidney | 7401098 |
| Cytidine deaminase | Ki | = | 40.0 | nM | 7.4 | Cytidine Deaminase Inhibition in human liver | 7401098 |
| Cytidine deaminase | Ki | = | 40.0 | nM | 7.4 | Binding affinity against cytidine deaminase of human liver | 7252974 |
| Cytidine deaminase | Ki | = | 100.0 | nM | 7.0 | Compound was tested for the inhibitory constant for mouse kidney cytidine deamin... | 3735306 |
| Cytidine deaminase | Ki | = | 400.0 | nM | 6.4 | Cytidine Deaminase Inhibition in mouse Kidney | 7401098 |
| Cytidine deaminase | Ki | = | 900.0 | nM | 6.05 | Cytidine Deaminase Inhibition in human liver | 7401098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7401098 | 10.1021/jm00181a001 | Cytidine deaminase | 4 |
| 3735306 | 10.1021/jm00158a009 | Cytidine deaminase | 1 |
| 7252974 | 10.1021/jm00138a003 | Cytidine deaminase | 1 |
Data from ChEMBL 36 via Core Engine