Compound Detail
CHEMBL255373
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Basic Information
| ChEMBL ID | CHEMBL255373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSQFAGXZJPMOPV-LYINWTKYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.29
ALogP
6
HBA
3
HBD
88.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.58 | 4.58 | 26300.0 | 1 |
| MCF7R CHEMBL614327 | IC50 | 4.3 | 4.3 | 49800.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.15 | 4.15 | 70300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 26300.0 | nM | 4.58 | Growth inhibition of human HA22T/VGH cells after 48 hrs by MTS assay | 18039573 |
| MCF7R | IC50 | = | 49800.0 | nM | 4.3 | Growth inhibition of human multidrug-resistant MCF7R cells after 48 hrs by MTS a... | 18039573 |
| MCF7 | IC50 | = | 70300.0 | nM | 4.15 | Growth inhibition of human MCF7 cells after 48 hrs by MTS assay | 18039573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18039573 | 10.1016/j.bmcl.2007.11.021 | NON-PROTEIN TARGET | 2 |
| 18039573 | 10.1016/j.bmcl.2007.11.021 | MCF7 | 2 |
| 18039573 | 10.1016/j.bmcl.2007.11.021 | MCF7R | 2 |
Data from ChEMBL 36 via Core Engine