Compound Detail
CHEMBL434812
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 | CHEMBL434812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWLFIMOOGVXSMZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.42
ALogP
6
HBA
2
HBD
70.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.52
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calf thymus DNA CHEMBL612514 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calf thymus DNA | EC50 | = | 3000.0 | nM | 5.52 | In vitro evaluation for intercalating potency by using calf thymus DNA in ethidi... | 9733489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733489 | 10.1021/jm9708083 | Mus musculus | 4 |
| 9733489 | 10.1021/jm9708083 | P388 | 1 |
| 9733489 | 10.1021/jm9708083 | DNA topoisomerase II | 1 |
| 9733489 | 10.1021/jm9708083 | Calf thymus DNA | 1 |
Data from ChEMBL 36 via Core Engine