Compound Detail
CHEMBL2425364
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c1cc2nc3ccc4cc3cc2cc1CNCCNCCNCc1ccc2nc3ccc(cc3cc2c1)CNCCNCCNC4
Basic Information
| ChEMBL ID | CHEMBL2425364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBJCYMHAFYFQCR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
612.8
MW (Da)
4.34
ALogP
8
HBA
6
HBD
98.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 6.12 | 6.12 | 750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 750.0 | nM | 6.12 | Inhibition of telomerase (unknown origin) by TRAP assay | 23974014 |
| Telomerase reverse transcriptase | IC50 | = | 750.0 | nM | 6.12 | Inhibition of human telomerase | 24957878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24957878 | 10.1016/j.bmc.2014.05.047 | Unchecked | 2 |
| 23974014 | 10.1016/j.ejmech.2013.07.022 | Telomerase reverse transcriptase | 1 |
| 24957878 | 10.1016/j.bmc.2014.05.047 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine