Compound Detail
CHEMBL1162298
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Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)O2)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL1162298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSCOIIOUWFAHFY-LKEWCRSYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.2
MW (Da)
-1.07
ALogP
11
HBA
6
HBD
241.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase beta CHEMBL2392 | Ki | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase beta | Ki | = | 900.0 | nM | 6.05 | Inhibition of human DNA polymerase beta | 18811136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811136 | 10.1021/jm800692a | DNA polymerase beta | 2 |
Data from ChEMBL 36 via Core Engine