Compound Detail
CHEMBL1258983
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Basic Information
| ChEMBL ID | CHEMBL1258983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFXRVTOTWYJRMF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
411.2
MW (Da)
4.25
ALogP
4
HBA
0
HBD
62.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| DNA polymerase I, thermostable CHEMBL3564 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of telomerase in human SGC7901 cells by TRAP assay | 20800480 |
| DNA polymerase I, thermostable | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Taq polymerase | 20800480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20800480 | 10.1016/j.bmcl.2010.08.017 | SGC-7901 | 1 |
| 20800480 | 10.1016/j.bmcl.2010.08.017 | PC-3 | 1 |
| 20800480 | 10.1016/j.bmcl.2010.08.017 | A-431 | 1 |
| 20800480 | 10.1016/j.bmcl.2010.08.017 | DNA polymerase I, thermostable | 1 |
| 20800480 | 10.1016/j.bmcl.2010.08.017 | Telomerase reverse transcriptase | 1 |
| 20800480 | 10.1016/j.bmcl.2010.08.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine