Compound Detail
CHEMBL5421717
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CCCCNc1nc2c(NC)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Br)(Br)P(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5421717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDCKUMXTLNWEEC-IDTAVKCVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
748.1
MW (Da)
1.60
ALogP
14
HBA
8
HBD
267.9
PSA (Ų)
0.08
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL5957 | Ki | 6.73 | 6.73 | 185.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | Ki | = | 185.0 | nM | 6.73 | Binding affinity to recombinant human CD73 expressed in Sf9 cells preincubated f... | 36599229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36599229 | 10.1016/j.ejmech.2022.115052 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine