Compound Detail
CHEMBL121192
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Basic Information
| ChEMBL ID | CHEMBL121192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIEQGKUOKIEBDD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.02
ALogP
6
HBA
2
HBD
70.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.6
IC50 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Calf thymus DNA CHEMBL612514 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| DNA topoisomerase II CHEMBL2094255 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 860.0 | nM | 6.07 | In vitro cytotoxicity measured by quantifying clonogenic survival in soft agar f... | 9733489 |
| Calf thymus DNA | EC50 | = | 2500.0 | nM | 5.6 | In vitro evaluation for intercalating potency by using calf thymus DNA in ethidi... | 9733489 |
| DNA topoisomerase II | EC50 | = | 20000.0 | nM | 4.7 | In vitro evaluation for inhibitor of human topoisomerase II from HeLa cells. | 9733489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80164-5 | Mus musculus | 4 |
| 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