Compound Detail
CHEMBL448813
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O=C(CCN1CCCC1)Nc1ccc2c(NCCCCCCNc3c4ccc(NC(=O)CCN5CCCC5)cc4nc4cc(NC(=O)CCN5CCCC5)ccc34)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Basic Information
| ChEMBL ID | CHEMBL448813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWCBOAVRBRADEX-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1031.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.07
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.07 | 5.71 | 850.0 | 2 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Protection of telomeres protein 1 CHEMBL5908 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 850.0 | nM | 6.07 | Inhibition of human G-quadruplex [TTAGGG]4 DNA templet extension assessed as inc... | 19201200 |
| Telomerase reverse transcriptase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human telomerase assessed as unincorporated [alpha32P]dGTP | 19201200 |
| Unchecked | EC50 | = | 4500.0 | nM | 5.35 | Inhibition of non G-quadruplex [TTAGAG]4 DNA templet extension assessed as ligan... | 19201200 |
| Protection of telomeres protein 1 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human 35S-labeled Pot1 binding to human telomeric DNA | 19201200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19201200 | 10.1016/j.bmc.2009.01.015 | Unchecked | 4 |
| 19201200 | 10.1016/j.bmc.2009.01.015 | Telomerase reverse transcriptase | 1 |
| 19201200 | 10.1016/j.bmc.2009.01.015 | Protection of telomeres protein 1 | 1 |
Data from ChEMBL 36 via Core Engine