Compound Detail
CHEMBL2323149
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Basic Information
| ChEMBL ID | CHEMBL2323149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCTHTKGXQKHPOX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2365936 |
| Active Moiety | CHEMBL2365936 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.83
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3500.0 | nM | 5.46 | Growth inhibition of human GXF251L cells after 72 hrs by SRB assay | 23266176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23266176 | 10.1016/j.bmc.2012.11.011 | NON-PROTEIN TARGET | 1 |
| 23266176 | 10.1016/j.bmc.2012.11.011 | DNA topoisomerase 1 | 1 |
| 23266176 | 10.1016/j.bmc.2012.11.011 | DNA topoisomerase 2-alpha | 1 |
| 23266176 | 10.1016/j.bmc.2012.11.011 | DNA topoisomerase 2-beta | 1 |
Data from ChEMBL 36 via Core Engine