Compound Detail
CHEMBL449132
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Basic Information
| ChEMBL ID | CHEMBL449132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCWNNOCLLOHZIG-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
148.2
MW (Da)
2.27
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 2.7
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl2-associated agonist of cell death CHEMBL3817 | Kd | 2.7 | 2.7 | 2000000.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | Kd | 2.37 | 2.37 | 4300000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl2-associated agonist of cell death | Kd | = | 2000000.0 | nM | 2.7 | Binding affinity to BH3 binding groove of BclXL | 18457385 |
| Bcl-2-like protein 1 | Kd | = | 4300000.0 | nM | 2.37 | Binding affinity to BCL-XL (unknown origin) by 15N HSQC NMR analysis | 30769242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1-6 | 2 |
| 18457385 | 10.1021/jm8000373 | Bcl2-associated agonist of cell death | 1 |
| 21797225 | 10.1021/jm200826s | Bcl-2-like protein 1 | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1A9 | 1 |
| 21413808 | 10.1021/jm1013693 | Apoptosis regulator Bcl-2 | 1 |
| 31485 | 10.1021/jm00207a014 | No relevant target | 1 |
| 25797160 | 10.1016/j.bmc.2015.02.060 | Bcl-2-like protein 1 | 1 |
| 30769242 | 10.1016/j.ejmech.2019.01.084 | Bcl-2-like protein 1 | 1 |
| 38290426 | 10.1021/acs.jmedchem.3c02389 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine