Compound Detail
CHEMBL4578793
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Basic Information
| ChEMBL ID | CHEMBL4578793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSPPFVMBFSONKS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.28
ALogP
5
HBA
1
HBD
44.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator BAX CHEMBL5318 | Kd | 6.59 | 6.59 | 255.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator BAX | Kd | = | 255.0 | nM | 6.59 | Binding affinity to recombinant human BAX assessed as dissociation constant by I... | 33939407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 33939407 | 10.1021/acs.jmedchem.0c02200 | Apoptosis regulator BAX | 1 |
Data from ChEMBL 36 via Core Engine