Compound Detail
CHEMBL1651369
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Basic Information
| ChEMBL ID | CHEMBL1651369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXCCBDUBFNSONH-WOUKDFQISA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
-1.16
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 4.61 | 4.61 | 24300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 24300.0 | nM | 4.61 | Inhibition of calf placental adenosine deaminase by Lineweaver-Burk plot analysi... | 21138280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063610 | 10.1021/jm000287a | Phosphoglycerate kinase | 1 |
| 21138280 | 10.1021/jm101286g | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine