Compound Detail
CHEMBL139500
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Nc1cccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL139500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGTBKYPFAIYIQE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
5.56
ALogP
7
HBA
4
HBD
115.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | EC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | EC50 | = | 1090.0 | nM | 5.96 | Inhibitory activity against human telomerase | 14521409 |
| Telomerase reverse transcriptase | IC50 | = | 1090.0 | nM | 5.96 | Inhibition of telomerase in human A2780 cells by TRAP assay | 19726112 |
| NON-PROTEIN TARGET | IC50 | = | 6300.0 | nM | 5.2 | Cytotoxicity against ovarian carcinoma A2780 cell lines | 14521409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521409 | 10.1021/jm0308693 | NON-PROTEIN TARGET | 2 |
| 14521409 | 10.1021/jm0308693 | Telomerase reverse transcriptase | 1 |
| 19726112 | 10.1016/j.ejmech.2009.07.029 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine