Compound Detail
CHEMBL4243377
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Basic Information
| ChEMBL ID | CHEMBL4243377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIGIKTDJBDBDIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
3.42
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cellular tumor antigen p53 CHEMBL4096 | EC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cellular tumor antigen p53 | EC50 | = | 158.0 | nM | 6.8 | Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 c... | 30075999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30075999 | 10.1016/j.bmc.2018.07.042 | MCF7 | 2 |
| 30075999 | 10.1016/j.bmc.2018.07.042 | Unchecked | 1 |
| 30075999 | 10.1016/j.bmc.2018.07.042 | MDA-MB-231 | 1 |
| 30075999 | 10.1016/j.bmc.2018.07.042 | Cellular tumor antigen p53 | 1 |
Data from ChEMBL 36 via Core Engine