Compound Detail
CHEMBL1078511
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CN1CCCC1CCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Basic Information
| ChEMBL ID | CHEMBL1078511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIEHDTILAPRTIU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
585.8
MW (Da)
5.13
ALogP
7
HBA
3
HBD
92.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 7.75 | 7.75 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 18.0 | nM | 7.75 | Inhibition of telomerase in human A2780 cells by TRAP assay | 19726112 |
| Telomerase reverse transcriptase | IC50 | = | 18.0 | nM | 7.75 | Inhibition of telomerase (unknown origin) by TRAP assay | 23974014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19726112 | 10.1016/j.ejmech.2009.07.029 | Telomerase reverse transcriptase | 1 |
| 23974014 | 10.1016/j.ejmech.2013.07.022 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine