Compound Detail
CHEMBL2398292
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Basic Information
| ChEMBL ID | CHEMBL2398292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVEBCFHKQVSMJG-WSDLNYQXSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
5.09
ALogP
6
HBA
2
HBD
87.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Kd 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 5.66 | 5.24 | 2200.0 | 2 |
| Bcl-2-like protein 1 CHEMBL4625 | Kd | 5.05 | 4.985 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | IC50 | = | 2200.0 | nM | 5.66 | Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay | 23767404 |
| Bcl-2-like protein 1 | Kd | = | 9000.0 | nM | 5.05 | Binding affinity to human GST-tagged Bcl-Xl assessed as direct binding constant ... | 23767404 |
| Bcl-2-like protein 1 | Kd | = | 12000.0 | nM | 4.92 | Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by sur... | 23767404 |
| Bcl-2-like protein 1 | IC50 | = | 15000.0 | nM | 4.82 | Binding affinity to human GST-tagged Bcl-Xl by surface plasmon resonance assay | 23767404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23767404 | 10.1021/jm400556w | Unchecked | 5 |
| 23767404 | 10.1021/jm400556w | Bcl-2-like protein 1 | 4 |
| 23767404 | 10.1021/jm400556w | Apoptosis regulator Bcl-2 | 1 |
| 23767404 | 10.1021/jm400556w | Bcl-2-like protein 2 | 1 |
Data from ChEMBL 36 via Core Engine