Compound Detail
CHEMBL131491
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 | CHEMBL131491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZNPMROXAKTVCM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.12
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.96
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| DNA topoisomerase II CHEMBL2094255 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| DNA topoisomerase 2-beta CHEMBL3396 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 7900.0 | nM | 5.1 | In vitro cytotoxicity was evaluated following 1 hour transient exposure of P388 ... | - |
| DNA topoisomerase II | EC50 | = | 11000.0 | nM | 4.96 | Compound was tested for topoisomerase II inhibition in purified HeLa cells by SD... | - |
| DNA topoisomerase 2-beta | EC50 | = | 27000.0 | nM | 4.57 | Inhibition of calf thymus DNA/ethidium bromide complex formation. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00044-T | Mus musculus | 2 |
| - | 10.1016/0960-894X(95)00044-T | DNA topoisomerase II | 1 |
| - | 10.1016/0960-894X(95)00044-T | P388 | 1 |
| - | 10.1016/0960-894X(95)00044-T | DNA topoisomerase 2-beta | 1 |
Data from ChEMBL 36 via Core Engine