Compound Detail
CHEMBL5277365
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Basic Information
| ChEMBL ID | CHEMBL5277365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQAHLAHDZYOQDH-FOKLQQMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.69
ALogP
8
HBA
0
HBD
83.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleoside triphosphate diphosphohydrolase 1 CHEMBL5722 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleoside triphosphate diphosphohydrolase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human NTPDase1 | 30125720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30125720 | 10.1016/j.ejmech.2018.08.028 | Ectonucleoside triphosphate diphosphohydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine