Compound Detail
CHEMBL259739
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C[n+]1cc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5cc6ccccc6[n+](C)c5)nc4c3n2)cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL259739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTOLNXAGCUTHBW-UHFFFAOYSA-P |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
5.24
ALogP
4
HBA
2
HBD
91.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 8.82 | 7.32 | 1.5 | 5 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human telomerase expressed in HEK293T cells treated before telomer... | 17954919 |
| Telomerase reverse transcriptase | IC50 | = | 2.2 | nM | 8.66 | Inhibition of human telomerase expressed in HEK293T cells treated after telomera... | 17954919 |
| Telomerase reverse transcriptase | IC50 | = | 63.0 | nM | 7.2 | Inhibition of human telomerase expressed in in HEK293T cells in presence of prim... | 17954919 |
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Displacement of TO from EB virus g4-EBNA1 mRNA measured after 5 mins by FID assa... | 31173968 |
| Telomerase reverse transcriptase | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human telomerase expressed in HEK293T cells in presence of primer ... | 17954919 |
| Telomerase reverse transcriptase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human telomerase expressed in HEK293T cells in presence of primer ... | 17954919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17954919 | 10.1073/pnas.0707365104 | Telomerase reverse transcriptase | 7 |
| 31173968 | 10.1016/j.ejmech.2019.05.042 | Unchecked | 5 |
| 33460833 | 10.1016/j.ejmech.2020.113137 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine