Compound Detail
CHEMBL376497
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Basic Information
| ChEMBL ID | CHEMBL376497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUEOQJVHSJPTPO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.66
ALogP
3
HBA
3
HBD
60.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 6.0 | 5.945 | 1000.0 | 2 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 1000.0 | nM | 6.0 | Growth inhibition in HepG2 cells after 5 days | 17346034 |
| HepG2 | IC50 | = | 1300.0 | nM | 5.89 | Growth inhibition in HepG2 cells after 7 days | 17346034 |
| Unchecked | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of telomerase by TRAP assay | 16279791 |
| Telomerase reverse transcriptase | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of telomerase derived from human K562 cell extract incubated for 30 m... | 34710743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17346034 | 10.1021/jm0610088 | Unchecked | 3 |
| 17346034 | 10.1021/jm0610088 | HepG2 | 3 |
| 16279791 | 10.1021/jm050041b | Unchecked | 2 |
| 17346034 | 10.1021/jm0610088 | CA46 | 1 |
| 17346034 | 10.1021/jm0610088 | Ramos | 1 |
| 16279791 | 10.1021/jm050041b | No relevant target | 1 |
| 34710743 | 10.1016/j.ejmech.2021.113938 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine