Compound Detail
CHEMBL130368
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Cc1ccc(S(=O)(=O)/N=c2\ccn(C3CC3)c3c(F)c(-c4cc(C)nc(C)c4)c(F)cc23)cc1
Basic Information
| ChEMBL ID | CHEMBL130368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPEBWDKBDVFOMN-JJKYIXSRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
5.53
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | EC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | EC50 | = | 45000.0 | nM | 4.35 | Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified He... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00043-S | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine