Compound Detail
CHEMBL2171509
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Basic Information
| ChEMBL ID | CHEMBL2171509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSHIYQICPHMNAF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
6.77
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Bcl-2-related protein A1 CHEMBL6044 | EC50 | 4.67 | 4.67 | 21500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | EC50 | = | 1400.0 | nM | 5.85 | Inhibition of GST-tagged recombinant Bcl2 interaction with biotinylated Bim pept... | 23047228 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | EC50 | = | 2300.0 | nM | 5.64 | Inhibition of GST-tagged recombinant Mcl1 interaction with biotinylated Bim pept... | 23047228 |
| Bcl-2-related protein A1 | EC50 | = | 21500.0 | nM | 4.67 | Inhibition of GST-tagged recombinant Bfl1 interaction with biotinylated Bim pept... | 23047228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23047228 | 10.1016/j.ejmech.2012.09.012 | Bcl-2-like protein 1 | 2 |
| 23047228 | 10.1016/j.ejmech.2012.09.012 | RS4-11 | 1 |
| 23047228 | 10.1016/j.ejmech.2012.09.012 | IM-9 | 1 |
| 23047228 | 10.1016/j.ejmech.2012.09.012 | Unchecked | 1 |
| 23047228 | 10.1016/j.ejmech.2012.09.012 | Bcl-2-related protein A1 | 1 |
| 23047228 | 10.1016/j.ejmech.2012.09.012 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 23047228 | 10.1016/j.ejmech.2012.09.012 | Apoptosis regulator Bcl-2 | 1 |
Data from ChEMBL 36 via Core Engine