Compound Detail
CHEMBL2424901
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2424901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJWDAAZYCKYHNQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
5.13
ALogP
6
HBA
0
HBD
74.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.63 | 5.63 | 2340.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.11 | 5.11 | 7720.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase 2-alpha | IC50 | = | 920.0 | nM | 6.04 | Inhibition of human DNA topoisomerase 2alpha using pBR322 DNA after 30 mins by a... | 23968711 |
| HL-60 | IC50 | = | 2340.0 | nM | 5.63 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 23968711 |
| K562 | IC50 | = | 4120.0 | nM | 5.38 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 23968711 |
| HeLa | IC50 | = | 7720.0 | nM | 5.11 | Cytotoxicity against human HeLa cells after 48 hrs by MTT assay | 23968711 |
| A549 | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | 23968711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23968711 | 10.1016/j.ejmech.2013.07.011 | DNA topoisomerase 2-alpha | 4 |
| 23968711 | 10.1016/j.ejmech.2013.07.011 | HeLa | 1 |
| 23968711 | 10.1016/j.ejmech.2013.07.011 | K562 | 1 |
| 23968711 | 10.1016/j.ejmech.2013.07.011 | HL-60 | 1 |
| 23968711 | 10.1016/j.ejmech.2013.07.011 | A549 | 1 |
Data from ChEMBL 36 via Core Engine