Compound Detail
CHEMBL34683
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Basic Information
| ChEMBL ID | CHEMBL34683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYHXLJHYOVPSQN-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
3.80
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.57 | 5.555 | 2700.0 | 2 |
| CH1 CHEMBL614455 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 340.0 | nM | 6.47 | In vitro extracellular concentration required to reduce cell population to 50% a... | 1573635 |
| A2780 | IC50 | = | 2350.0 | nM | 5.63 | In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB... | 9822556 |
| NON-PROTEIN TARGET | IC50 | = | 2700.0 | nM | 5.57 | In vitro extracellular concentration required to reduce cell population to 50% a... | 1573635 |
| NON-PROTEIN TARGET | IC50 | = | 2900.0 | nM | 5.54 | In vitro extracellular concentration required to reduce cell population to 50% a... | 1573635 |
| CH1 | IC50 | = | 3150.0 | nM | 5.5 | In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) ... | 9822556 |
| SK-OV-3 | IC50 | = | 3150.0 | nM | 5.5 | In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SR... | 9822556 |
| Telomerase reverse transcriptase | IC50 | = | 3500.0 | nM | 5.46 | Inhibitory activity of telomerase was measured using the TRAP assay. | 9822556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1573635 | 10.1021/jm00086a010 | Nucleic Acid | 6 |
| 9822556 | 10.1021/jm981067o | DNA polymerase I, thermostable | 3 |
| 1573635 | 10.1021/jm00086a010 | NON-PROTEIN TARGET | 2 |
| 1573635 | 10.1021/jm00086a010 | L1210 | 1 |
| 1573635 | 10.1021/jm00086a010 | No relevant target | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine