Compound Detail
CHEMBL4164612
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Basic Information
| ChEMBL ID | CHEMBL4164612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDSAVJOLSIWVGB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
3.66
ALogP
4
HBA
2
HBD
71.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cellular tumor antigen p53 CHEMBL4096 | Kd | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cellular tumor antigen p53 | Kd | = | 30000.0 | nM | 4.52 | Binding affinity to 15N-labeled T-p53 DNA binding domain Y220C mutant (94 to 312... | 29702446 |
| Cellular tumor antigen p53 | Kd | = | 30000.0 | nM | 4.52 | Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (... | 29702446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29702446 | 10.1016/j.ejmech.2018.04.035 | Cellular tumor antigen p53 | 3 |
Data from ChEMBL 36 via Core Engine