Compound Detail
CHEMBL5199709
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O=C1c2ccc(OS(=O)(=O)C(F)(F)F)cc2Oc2c(Cl)c(Cl)c(C(=O)c3ccc(OS(=O)(=O)C(F)(F)F)cc3O)n2-c2c1[nH]c(Cl)c2Cl
Basic Information
| ChEMBL ID | CHEMBL5199709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEPANVVLRIXCAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
804.3
MW (Da)
7.15
ALogP
11
HBA
2
HBD
171.1
PSA (Ų)
0.08
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
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 | 5.85 | 5.85 | 1400.0 | 1 |
| Bcl-xL/Bcl-2-like protein 11 CHEMBL3883287 | IC50 | 5.64 | 5.64 | 2300.0 | 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 | = | 1400.0 | nM | 5.85 | Inhibition of Mcl-1/Bim (unknown origin) by ELISA method | 33333396 |
| Bcl-xL/Bcl-2-like protein 11 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of Bcl-xL/Bim (unknown origin) by ELISA method | 33333396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33333396 | 10.1016/j.ejmech.2020.113038 | Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | Bcl-xL/Bcl-2-like protein 11 | 1 |
Data from ChEMBL 36 via Core Engine