Compound Detail
CHEMBL2398250
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Basic Information
| ChEMBL ID | CHEMBL2398250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFCDJHMBCOAWLY-DIBXZPPDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
5.60
ALogP
6
HBA
2
HBD
87.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | IC50 | = | 10.0 | nM | 8.0 | Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay | 23767404 |
| NON-PROTEIN TARGET | EC50 | = | 1600.0 | nM | 5.8 | Cytotoxicity against mcl-1 deficient MFF assessed as cell viability after overni... | 23767404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23767404 | 10.1021/jm400556w | NON-PROTEIN TARGET | 4 |
| 23767404 | 10.1021/jm400556w | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine