Compound Detail
CHEMBL610939
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CC(C)(C)CSc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL610939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRTIBYXSCNUYAI-RJNFYWFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.4
MW (Da)
0.51
ALogP
15
HBA
7
HBD
279.1
PSA (Ų)
0.14
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleoside triphosphate diphosphohydrolase 1 CHEMBL2766 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleoside triphosphate diphosphohydrolase 1 | Ki | = | 45000.0 | nM | 4.35 | Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) fr... | 10841802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10841802 | 10.1021/jm000020b | Ectonucleoside triphosphate diphosphohydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine