Compound Detail
CHEMBL5083245
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Basic Information
| ChEMBL ID | CHEMBL5083245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DARNFXCXELGQKU-DTWKUNHWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
-1.85
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
EC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| DNA topoisomerase 2-beta CHEMBL3396 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 37.0 | nM | 7.43 | Antiproliferative activity against human HL-60 cells after 72 hrs by XTT assay | 33750129 |
| DNA topoisomerase 2-alpha | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human TOP2A assessed as reduction in relaxation of supercoiled DNA... | 33750129 |
| DNA topoisomerase 2-beta | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human TOP2B assessed as reduction in relaxation of supercoiled DNA... | 33750129 |
| Unchecked | EC50 | = | 4000.0 | nM | 5.4 | Cardioprotective activity against DAU-induced cardiotoxicity in Wistar rat neona... | 33750129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33750129 | 10.1021/acs.jmedchem.0c02157 | Unchecked | 2 |
| 33750129 | 10.1021/acs.jmedchem.0c02157 | HL-60 | 2 |
| 33750129 | 10.1021/acs.jmedchem.0c02157 | DNA topoisomerase 2-alpha | 1 |
| 33750129 | 10.1021/acs.jmedchem.0c02157 | DNA topoisomerase 2-beta | 1 |
| 33750129 | 10.1021/acs.jmedchem.0c02157 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine