Compound Detail
CHEMBL5189912
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Basic Information
| ChEMBL ID | CHEMBL5189912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BULDSMXGVHSVEQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
5.79
ALogP
3
HBA
2
HBD
40.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.54
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 11/Bcl-2-related protein A1 CHEMBL3885524 | IC50 | 5.6 | 5.4 | 2500.0 | 2 |
| Bcl-2-like protein 11/Bcl-2-related protein A1 CHEMBL3885524 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Bcl-2-related protein A1 CHEMBL6044 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 11/Bcl-2-related protein A1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Bfl-1/Bim (unknown origin) incubated for 30 mins by TR-FRET assay | 34034128 |
| Bcl-2-related protein A1 | Ki | = | 2900.0 | nM | 5.54 | Displacement of fluorescent-labeled BID-BH3 peptide from His-tagged human BFL-1 ... | 35385805 |
| Bcl-2-like protein 11/Bcl-2-related protein A1 | Ki | = | 2900.0 | nM | 5.54 | Inhibition of Bfl-1/Bim (unknown origin) assessed as inhibition constant by fluo... | 34034128 |
| Bcl-2-like protein 11/Bcl-2-related protein A1 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of Bfl-1/Bim (unknown origin) by fluorescence polarization assay | 34034128 |
| Apoptosis regulator Bcl-2 | Ki | = | 12900.0 | nM | 4.89 | Displacement of fluorescent-labeled BID-BH3 peptide from human BCL-2 expressed i... | 35385805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34034128 | 10.1016/j.ejmech.2021.113539 | Bcl-2-like protein 11/Bcl-2-related protein A1 | 3 |
| 35385805 | 10.1016/j.ejmech.2022.114327 | Bcl-2-related protein A1 | 1 |
| 35385805 | 10.1016/j.ejmech.2022.114327 | Apoptosis regulator Bcl-2 | 1 |
| 34034128 | 10.1016/j.ejmech.2021.113539 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine