Compound Detail
CHEMBL2367576
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Basic Information
| ChEMBL ID | CHEMBL2367576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFBDBFJTEFLACS-FNCVBFRFSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
-1.77
ALogP
5
HBA
4
HBD
102.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytidine deaminase CHEMBL2110 | Ki | 6.52 | 6.52 | 300.0 | 3 |
| Cytidine deaminase CHEMBL4502 | Ki | 6.4 | 6.4 | 400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytidine deaminase | Ki | = | 300.0 | nM | 6.52 | Cytidine Deaminase Inhibition in mouse Kidney | 7401098 |
| Cytidine deaminase | Ki | = | 300.0 | nM | 6.52 | Compound was tested in vivo for its ability to inhibit mouse kidney cytidine dea... | 3783592 |
| Cytidine deaminase | Ki | = | 300.0 | nM | 6.52 | Binding affinity against cytidine deaminase of mouse kidney | 7252974 |
| Cytidine deaminase | Ki | = | 400.0 | nM | 6.4 | Cytidine Deaminase Inhibition in human liver | 7401098 |
| Cytidine deaminase | Ki | = | 400.0 | nM | 6.4 | Binding affinity against cytidine deaminase of human liver | 7252974 |
| 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 |
| 7252974 | 10.1021/jm00138a003 | Cytidine deaminase | 2 |
| 3783592 | 10.1021/jm00161a034 | Cytidine deaminase | 1 |
| 15689149 | 10.1021/jm0496279 | Cytidine deaminase | 1 |
Data from ChEMBL 36 via Core Engine