Compound Detail
CHEMBL3393652
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
COc1ccccc1C(=O)c1c(-n2c(C(=O)c3ccccc3OC)cc(Cl)c2Cl)c(Cl)c(Cl)n1C
Basic Information
| ChEMBL ID | CHEMBL3393652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLLZLYIIZFYOIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.2
MW (Da)
6.91
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.81
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 | 4.81 | 4.81 | 15500.0 | 1 |
| Bcl-xL/Bcl-2-like protein 11 CHEMBL3883287 | IC50 | 4.19 | 4.19 | 64900.0 | 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 | = | 15500.0 | nM | 4.81 | Inhibition of Mcl1/Bim (unknown origin) by ELISA | 25437618 |
| Bcl-xL/Bcl-2-like protein 11 | IC50 | = | 64900.0 | nM | 4.19 | 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 | 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