Compound Detail
CHEMBL4483703
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COc1cccc2nc(C(=O)N(CCN(C)C)C3CNc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Basic Information
| ChEMBL ID | CHEMBL4483703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGOXYJXUOPFPSD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.5
MW (Da)
5.93
ALogP
6
HBA
1
HBD
62.1
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Centromere-associated protein E CHEMBL5870 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Centromere-associated protein E | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with... | 27476141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27476141 | 10.1016/j.bmcl.2016.07.038 | Centromere-associated protein E | 1 |
| 27476141 | 10.1016/j.bmcl.2016.07.038 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine