Compound Detail
CHEMBL3393627
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O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccccc2O)cc(Cl)c1Cl
Basic Information
| ChEMBL ID | CHEMBL3393627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQRFAQYFZLJLHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
658.2
MW (Da)
6.52
ALogP
8
HBA
3
HBD
138.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 CHEMBL3430887 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Bcl-xL/Bcl-2-like protein 11 CHEMBL3883287 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Mcl1/Bim (unknown origin) by ELISA | 25437618 |
| Bcl-xL/Bcl-2-like protein 11 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Bcl-xL/Bim (unknown origin) by ELISA | 25437618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25437618 | 10.1016/j.ejmech.2014.11.035 | MDA-MB-468 | 3 |
| 25437618 | 10.1016/j.ejmech.2014.11.035 | Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | 1 |
| 25437618 | 10.1016/j.ejmech.2014.11.035 | Bcl-xL/Bcl-2-like protein 11 | 1 |
Data from ChEMBL 36 via Core Engine