Compound Detail
CHEMBL5183172
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COc1ccc(CSc2ccc(C(=O)c3[nH]c(Cl)c(Cl)c3-n3cc(Cl)c(Cl)c3C(=O)c3ccc(SCc4ccc(OC)cc4)cc3O)c(O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5183172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHISZKPHVCOZQM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
814.6
MW (Da)
10.89
ALogP
9
HBA
3
HBD
113.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-xL/Bcl-2-like protein 11 CHEMBL3883287 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 CHEMBL3430887 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-xL/Bcl-2-like protein 11 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of GST-tagged Bcl-xL/Bim (unknown origin) incubated for 15 mins follo... | 33333396 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of GST-tagged Mcl-1/Bim (unknown origin) incubated for 15 mins follow... | 33333396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33333396 | 10.1016/j.ejmech.2020.113038 | Bcl-xL/Bcl-2-like protein 11 | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | 1 |
Data from ChEMBL 36 via Core Engine