Compound Detail
CHEMBL202717
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O=C(CCCCN1CCCC1)Nc1ccc2c(Nc3ccc(NC(=O)CCN4CCCC4)cc3)c3ccc(NC(=O)CCCCN4CCCC4)cc3nc2c1
Basic Information
| ChEMBL ID | CHEMBL202717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRIZBBKJMPGFLZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
747.0
MW (Da)
7.97
ALogP
8
HBA
4
HBD
121.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | EC50 | 6.59 | 6.59 | 255.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | EC50 | = | 255.0 | nM | 6.59 | Inhibition of telomerase activity from human A2780 cells | 16420044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420044 | 10.1021/jm050555a | Telomerase reverse transcriptase | 1 |
| 16420044 | 10.1021/jm050555a | Nucleic Acid | 1 |
| 16420044 | 10.1021/jm050555a | MCF7 | 1 |
| 16420044 | 10.1021/jm050555a | IMR-90 | 1 |
Data from ChEMBL 36 via Core Engine