Compound Detail
CHEMBL1093176
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1093176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BALASFNFXOTYLR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.97
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.62 | 4.62 | 23900.0 | 1 |
| SK-BR-3 CHEMBL613834 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.43 | 4.43 | 37500.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.34 | 4.34 | 45300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-BR-3 | IC50 | = | 24200.0 | nM | 4.62 | Cytotoxicity against human SK-BR-3 cells after 72 hrs by WST-8 assay | 20219370 |
| MCF7 | IC50 | = | 23900.0 | nM | 4.62 | Cytotoxicity against human MCF7 cells after 72 hrs by WST-8 assay | 20219370 |
| NON-PROTEIN TARGET | IC50 | = | 37500.0 | nM | 4.43 | Cytotoxicity against human COLO320DM cells after 72 hrs by WST-8 assay | 20219370 |
| PC-3 | IC50 | = | 45300.0 | nM | 4.34 | Cytotoxicity against human PC3 cells after 72 hrs by WST-8 assay | 20219370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219370 | 10.1016/j.bmcl.2010.02.068 | SK-BR-3 | 1 |
| 20219370 | 10.1016/j.bmcl.2010.02.068 | MCF7 | 1 |
| 20219370 | 10.1016/j.bmcl.2010.02.068 | PC-3 | 1 |
| 20219370 | 10.1016/j.bmcl.2010.02.068 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine