Compound Detail
CHEMBL1172458
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Basic Information
| ChEMBL ID | CHEMBL1172458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUEQPCVMPXPGHK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.8
MW (Da)
4.50
ALogP
6
HBA
2
HBD
92.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| DNA polymerase I, thermostable CHEMBL3564 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of human telomerase in human SGC7901 cells by TRAP assay | 20538457 |
| DNA polymerase I, thermostable | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of Thermus aquaticus taq polymerase | 20538457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20538457 | 10.1016/j.bmcl.2010.05.080 | SGC-7901 | 1 |
| 20538457 | 10.1016/j.bmcl.2010.05.080 | DNA polymerase I, thermostable | 1 |
| 20538457 | 10.1016/j.bmcl.2010.05.080 | Telomerase reverse transcriptase | 1 |
| 20538457 | 10.1016/j.bmcl.2010.05.080 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine