Compound Detail
CHEMBL3393639
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O=C(c1ccc(-c2cn(-c3ccccc3)nn2)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(-c3cn(-c4ccccc4)nn3)cc2O)cc(Cl)c1Cl
Basic Information
| ChEMBL ID | CHEMBL3393639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGJOLTCLYJRDSX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
796.5
MW (Da)
8.79
ALogP
11
HBA
3
HBD
156.7
PSA (Ų)
0.12
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-xL/Bcl-2-like protein 11 CHEMBL3883287 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 CHEMBL3430887 | IC50 | 5.82 | 5.82 | 1500.0 | 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 | = | 800.0 | nM | 6.1 | Inhibition of Bcl-xL/Bim (unknown origin) by ELISA | 25437618 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Mcl1/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