Compound Detail
CHEMBL275860
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C[N+](C)(C)CCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCC[N+](C)(C)C)C3=O
Basic Information
| ChEMBL ID | CHEMBL275860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSMBYNIEQVAJHF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
2.22
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| DNA polymerase I, thermostable CHEMBL3564 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.05 | 5.05 | 8890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 1140.0 | nM | 5.94 | Cytotoxicity against human H460 cells by MTT assay | 17035038 |
| Telomerase reverse transcriptase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of telomerase in JR8 cell extract by TRAP assay | 17035038 |
| DNA polymerase I, thermostable | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Taq polymerase | 17035038 |
| HT-29 | IC50 | = | 8890.0 | nM | 5.05 | Cytotoxicity against human HT29 cells by MTT assay | 17035038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17157016 | 10.1016/j.bmcl.2006.11.038 | Unchecked | 2 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | DNA polymerase I, thermostable | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | NCI-H460 | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | HT-29 | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | Telomerase reverse transcriptase | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | Unchecked | 1 |
| 17157016 | 10.1016/j.bmcl.2006.11.038 | No relevant target | 1 |
| 17157016 | 10.1016/j.bmcl.2006.11.038 | DNA | 1 |
| 17157016 | 10.1016/j.bmcl.2006.11.038 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine