Compound Detail
CHEMBL184711
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CC1CCN(CCC(=O)Nc2ccc3c(O)c4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL184711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNIWLUAMXOOFPV-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
531.7
MW (Da)
5.21
ALogP
6
HBA
3
HBD
97.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
EC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | EC50 | = | 1700.0 | nM | 5.77 | Concentration required to inhibit 50% of telomerase activity | 15501053 |
| Telomerase reverse transcriptase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of telomerase in human A2780 cells by TRAP assay | 19726112 |
| A2780 | IC50 | = | 3000.0 | nM | 5.52 | Concentration required to inhibit 50% of human carcinoma A2780 cell lines | 15501053 |
| NON-PROTEIN TARGET | IC50 | = | 3000.0 | nM | 5.52 | Concentration required to inhibit 50% of human carcinoma CH1 cell lines | 15501053 |
| SK-OV-3 | IC50 | = | 5600.0 | nM | 5.25 | Concentration required to inhibit 50% of human carcinoma SKOV3 cell lines | 15501053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501053 | 10.1016/j.bmcl.2004.09.037 | Telomerase reverse transcriptase | 1 |
| 15501053 | 10.1016/j.bmcl.2004.09.037 | A2780 | 1 |
| 15501053 | 10.1016/j.bmcl.2004.09.037 | NON-PROTEIN TARGET | 1 |
| 15501053 | 10.1016/j.bmcl.2004.09.037 | SK-OV-3 | 1 |
| 19726112 | 10.1016/j.ejmech.2009.07.029 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine