Compound Detail
CHEMBL7618
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CC(=O)Nc1ccccc1Cc1cn(C2CC2)c2c(F)c(-c3cc(C)nc(C)c3)c(F)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL7618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKRNWLWDLMUOSV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
5.84
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | EC50 | = | 5100.0 | nM | 5.29 | Inhibitory activity against HeLa cell Topoisomerase II | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00160-U | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine