Compound Detail
CHEMBL145575
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Basic Information
| ChEMBL ID | CHEMBL145575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHHZSQSAPLVDAV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
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 4 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 640.0 | nM | 6.19 | In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB... | 9822556 |
| Telomerase reverse transcriptase | IC50 | = | 4200.0 | nM | 5.38 | Inhibitory activity of telomerase was measured using the TRAP assay. | 9822556 |
| CH1 | IC50 | = | 5300.0 | nM | 5.28 | In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) ... | 9822556 |
| SK-OV-3 | IC50 | = | 5200.0 | nM | 5.28 | In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SR... | 9822556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822556 | 10.1021/jm981067o | DNA polymerase I, thermostable | 3 |
| 22357112 | 10.1016/j.ejmech.2012.01.044 | Molecular identity unknown | 3 |
| 22357112 | 10.1016/j.ejmech.2012.01.044 | NON-PROTEIN TARGET | 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 |
Data from ChEMBL 36 via Core Engine