Compound Detail
CHEMBL1169717
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Basic Information
| ChEMBL ID | CHEMBL1169717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOZHAOVKVPEXOV-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.1
MW (Da)
5.61
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.36 | 4.36 | 43690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 43690.0 | nM | 4.36 | Cytotoxicity against human MCF-7TN-R cells assessed as reduction in cell viabili... | 20639111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20639111 | 10.1016/j.bmc.2010.05.044 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine