Compound Detail
CHEMBL222557
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Basic Information
| ChEMBL ID | CHEMBL222557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSBNFGRTUCCBTK-DAFODLJHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.11
ALogP
6
HBA
5
HBD
118.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric... | 26762836 |
| Telomerase reverse transcriptase | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of human telomerase from HEK293 cell extracts by Flash-Plate assay | 15588081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588081 | 10.1021/jm040810b | Telomerase reverse transcriptase | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | Xanthine dehydrogenase/oxidase | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | No relevant target | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | NON-PROTEIN TARGET | 1 |
| 27155901 | 10.1016/j.bmcl.2016.04.069 | No relevant target | 1 |
| 27155901 | 10.1016/j.bmcl.2016.04.069 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine