Compound Detail
CHEMBL2333205
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Basic Information
| ChEMBL ID | CHEMBL2333205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEBPVFRPBIXIIL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.55
ALogP
5
HBA
0
HBD
60.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.33 | 4.33 | 46665.9 | 2 |
| B16-F10 CHEMBL612656 | IC50 | 4.07 | 4.07 | 85260.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 4.03 | 4.03 | 94010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 46700.0 | nM | 4.33 | Inhibition of telomerase in human SGC7901 cells by TRAP assay | 23312949 |
| Telomerase reverse transcriptase | IC50 | = | 46665.94 | nM | 4.33 | Inhibition of telomerase in human SGC7901 cells by TRAP assay | 23312949 |
| B16-F10 | IC50 | = | 85260.0 | nM | 4.07 | Anticancer activity against mouse B16F10 cells assessed as cell survival measure... | 23312949 |
| SGC-7901 | IC50 | = | 94010.0 | nM | 4.03 | Anticancer activity against human SGC7901 cells assessed as cell survival measur... | 23312949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23312949 | 10.1016/j.bmcl.2012.12.010 | Telomerase reverse transcriptase | 2 |
| 23312949 | 10.1016/j.bmcl.2012.12.010 | SGC-7901 | 1 |
| 23312949 | 10.1016/j.bmcl.2012.12.010 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine