Compound Detail
CHEMBL181970
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O=C(CCCCC(=O)N1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL181970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEMJBKXSKVGUTP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
747.0
MW (Da)
7.10
ALogP
8
HBA
4
HBD
139.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | EC50 | 6.5 | 6.5 | 318.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 6.5 | 6.5 | 318.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | EC50 | = | 318.0 | nM | 6.5 | Effective concentration against telomerase by TRAP | 15261300 |
| Telomerase reverse transcriptase | IC50 | = | 318.0 | nM | 6.5 | Inhibition of telomerase in human A2780 cells by TRAP assay | 19726112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261300 | 10.1016/j.bmcl.2004.05.090 | Telomerase reverse transcriptase | 1 |
| 15261300 | 10.1016/j.bmcl.2004.05.090 | Nucleic Acid | 1 |
| 19726112 | 10.1016/j.ejmech.2009.07.029 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine