Compound Detail
CHEMBL5283491
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CCC(C)c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5283491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SITNOQXAZILCRX-JBJVTEQASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.3
MW (Da)
-0.12
ALogP
14
HBA
7
HBD
279.1
PSA (Ų)
0.19
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleoside triphosphate diphosphohydrolase 1 CHEMBL5722 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleoside triphosphate diphosphohydrolase 1 | IC50 | = | 500.0 | nM | 6.3 | 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