Compound Detail
CHEMBL610997
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Basic Information
| ChEMBL ID | CHEMBL610997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBBIVXDEBCKFIZ-BYBOBHAWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
-1.99
ALogP
5
HBA
4
HBD
102.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytidine deaminase CHEMBL4502 | Ki | 7.6 | 7.6 | 25.0 | 2 |
| Cytidine deaminase CHEMBL2110 | Ki | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytidine deaminase | Ki | = | 25.0 | nM | 7.6 | Binding affinity against cytidine deaminase of human liver | 7252974 |
| Cytidine deaminase | Ki | = | 25.0 | nM | 7.6 | Binding affinity for human cytidine deaminase | 15689149 |
| Cytidine deaminase | Ki | = | 70.0 | nM | 7.16 | Binding affinity against cytidine deaminase of mouse kidney | 7252974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7252974 | 10.1021/jm00138a003 | Cytidine deaminase | 2 |
| 15689149 | 10.1021/jm0496279 | Cytidine deaminase | 1 |
Data from ChEMBL 36 via Core Engine