Compound Detail
CHEMBL225508
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Basic Information
| ChEMBL ID | CHEMBL225508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQYXRYIEZSTEIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
2.59
ALogP
4
HBA
0
HBD
13.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| DNA polymerase I, thermostable CHEMBL3564 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 15200.0 | nM | 4.82 | Cytotoxicity against human HT29 cells by MTT assay | 17035038 |
| DNA polymerase I, thermostable | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Taq polymerase | 17035038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17035038 | 10.1016/j.bmc.2006.09.029 | DNA polymerase I, thermostable | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | Telomerase reverse transcriptase | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | NCI-H460 | 1 |
| 17035038 | 10.1016/j.bmc.2006.09.029 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine