Compound Detail
CHEMBL92265
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C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCOCC4)ccc2C3=O)CCOCC1
Basic Information
| ChEMBL ID | CHEMBL92265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLUOZHWNXGCLJM-UHFFFAOYSA-P |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
2.07
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.53 | 5.53 | 2950.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 520.0 | nM | 6.28 | Cytotoxicity measured in human ovarian cell line A2780 using sulforhodamine B (S... | 10411488 |
| CH1 | IC50 | = | 1100.0 | nM | 5.96 | Cytotoxicity activity was measured in human ovarian cell line CH1 using sulforho... | 10411488 |
| SK-OV-3 | IC50 | = | 2950.0 | nM | 5.53 | Cytotoxicity activity was measured in human ovarian cell line SKOV-3 using sulfo... | 10411488 |
| Telomerase reverse transcriptase | IC50 | = | 16500.0 | nM | 4.78 | Inhibitory activity against telomerase | 10411488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411488 | 10.1021/jm990084q | Telomerase reverse transcriptase | 1 |
| 10411488 | 10.1021/jm990084q | A2780 | 1 |
| 10411488 | 10.1021/jm990084q | CH1 | 1 |
| 10411488 | 10.1021/jm990084q | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine