Compound Detail
CHEMBL186933
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL186933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIFUWDZAJFVYDK-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.43
ALogP
6
HBA
3
HBD
97.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | EC50 | = | 700.0 | nM | 6.16 | Concentration required to inhibit 50% of telomerase activity | 15501053 |
| Telomerase reverse transcriptase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of telomerase in human A2780 cells by TRAP assay | 19726112 |
| A2780 | IC50 | = | 16000.0 | nM | 4.8 | Concentration required to inhibit 50% of human carcinoma A2780 cell lines | 15501053 |
| NON-PROTEIN TARGET | IC50 | = | 25000.0 | nM | 4.6 | Concentration required to inhibit 50% of human carcinoma CH1 cell lines | 15501053 |
| SK-OV-3 | IC50 | = | 25000.0 | nM | 4.6 | 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 |
| 19726112 | 10.1016/j.ejmech.2009.07.029 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine