Compound Detail
CHEMBL5182039
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Basic Information
| ChEMBL ID | CHEMBL5182039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOXPVNACWPVATF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
5.93
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.2 | 5.2 | 6300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of telomerase (unknown origin) | 35716866 |
| Telomerase reverse transcriptase | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of telomerase derived from human A2780 cell extract by TRAP assay | 34710743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35716866 | 10.1016/j.bmcl.2022.128862 | quadruplex DNA | 1 |
| 35716866 | 10.1016/j.bmcl.2022.128862 | Telomerase reverse transcriptase | 1 |
| 34710743 | 10.1016/j.ejmech.2021.113938 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine