Compound Detail
CHEMBL343445
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Basic Information
| ChEMBL ID | CHEMBL343445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVCYWBDVOQIQGH-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
3.31
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.75
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.75 | 5.75 | 1800.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 1800.0 | nM | 5.75 | Inhibitory activity of telomerase was measured using the TRAP assay. | 9822556 |
| Telomerase reverse transcriptase | IC50 | = | 1800.0 | nM | 5.75 | Inhibitory activity against Telomerase evaluated by TRAP Assay studies. | 10579817 |
| Telomerase reverse transcriptase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of telomerase (unknown origin) by TRAP assay | 23974014 |
| Unchecked | EC50 | = | 2500.0 | nM | 5.6 | Inhibition of human telomerase in JR8 cells by TRAP assay | 17936629 |
| SK-OV-3 | IC50 | = | 38000.0 | nM | 4.42 | In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SR... | 9822556 |
| A2780 | IC50 | = | 39000.0 | nM | 4.41 | In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB... | 9822556 |
| CH1 | IC50 | = | 49000.0 | nM | 4.31 | In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) ... | 9822556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822556 | 10.1021/jm981067o | DNA polymerase I, thermostable | 3 |
| 17936629 | 10.1016/j.bmc.2007.09.040 | Unchecked | 3 |
| 9822556 | 10.1021/jm981067o | A2780 | 1 |
| 9822556 | 10.1021/jm981067o | CH1 | 1 |
| 9822556 | 10.1021/jm981067o | SK-OV-3 | 1 |
| 9822556 | 10.1021/jm981067o | Telomerase reverse transcriptase | 1 |
| 10579817 | 10.1021/jm990287e | Telomerase reverse transcriptase | 1 |
| - | 10.1007/s00044-011-9594-4 | Telomerase reverse transcriptase | 1 |
| 23974014 | 10.1016/j.ejmech.2013.07.022 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine