Compound Detail
CHEMBL2398249
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Basic Information
| ChEMBL ID | CHEMBL2398249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEFWRPFQSSAUPT-IMRQLAEWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.10
ALogP
7
HBA
2
HBD
90.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 7.31 | 7.185 | 49.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | IC50 | = | 49.0 | nM | 7.31 | Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay | 23767404 |
| Bcl-2-like protein 1 | IC50 | = | 88.0 | nM | 7.06 | Binding affinity to human GST-tagged Bcl-Xl by surface plasmon resonance assay | 23767404 |
| Unchecked | IC50 | = | 42000.0 | nM | 4.38 | Binding affinity to human/mouse chimeric Mcl-1 by luminescence proximity assay | 23767404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23767404 | 10.1021/jm400556w | Unchecked | 2 |
| 23767404 | 10.1021/jm400556w | Bcl-2-like protein 1 | 2 |
| 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