Compound Detail
CHEMBL184103
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Basic Information
| ChEMBL ID | CHEMBL184103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVFADSNADHLCKT-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.19
ALogP
4
HBA
0
HBD
22.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | EC50 | = | 90.0 | nM | 7.05 | Concentration required to inhibit 50% of telomerase activity | 15501053 |
| A2780 | IC50 | = | 10000.0 | nM | 5.0 | Concentration required to inhibit 50% of human carcinoma A2780 cell lines | 15501053 |
| NON-PROTEIN TARGET | IC50 | = | 10100.0 | nM | 5.0 | Concentration required to inhibit 50% of human carcinoma CH1 cell lines | 15501053 |
| SK-OV-3 | IC50 | = | 13000.0 | nM | 4.89 | Concentration required to inhibit 50% of human carcinoma SKOV3 cell lines | 15501053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501053 | 10.1016/j.bmcl.2004.09.037 | Telomerase reverse transcriptase | 1 |
| 15501053 | 10.1016/j.bmcl.2004.09.037 | A2780 | 1 |
| 15501053 | 10.1016/j.bmcl.2004.09.037 | NON-PROTEIN TARGET | 1 |
| 15501053 | 10.1016/j.bmcl.2004.09.037 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine