Compound Detail
CHEMBL4868313
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Basic Information
| ChEMBL ID | CHEMBL4868313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEYKRJBXACUOOB-WOJGMQOQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
4.87
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator BAX CHEMBL5318 | Ki | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator BAX | Ki | = | 43.0 | nM | 7.37 | Displacement of Bak BH3 domain peptide from human Bax by competitive fluorescenc... | 33845235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33845235 | 10.1016/j.ejmech.2021.113427 | Apoptosis regulator BAX | 1 |
Data from ChEMBL 36 via Core Engine