Compound Detail
CHEMBL4284048
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 | CHEMBL4284048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJNSYEADGBFNBP-YBFXNURJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.72
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of human topoisomerase-2 assessed as reduction in relaxation of super... | 30109001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30109001 | 10.1039/C8MD00219C | Unchecked | 2 |
| 30109001 | 10.1039/C8MD00219C | A549 | 1 |
| 30109001 | 10.1039/C8MD00219C | HCT-116 | 1 |
| 30109001 | 10.1039/C8MD00219C | ZR-75-30 | 1 |
Data from ChEMBL 36 via Core Engine