Compound Detail
CHEMBL5612276
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Cc1cccc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1
Basic Information
| ChEMBL ID | CHEMBL5612276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQAFBYLFRCCWNB-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.0
MW (Da)
5.44
ALogP
6
HBA
3
HBD
107.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-BR-3 CHEMBL613834 | IC50 | 10.05 | 10.05 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-BR-3 | IC50 | = | 0.09 | nM | 10.05 | Cytotoxicity against human SK-BR-3 cells incubated for 144 hrs by CellTiter-Glo ... | 39068862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39068862 | 10.1016/j.ejmech.2024.116709 | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine