Compound Detail
CHEMBL4068744
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Basic Information
| ChEMBL ID | CHEMBL4068744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSGDWGPUTMTPQH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.23
ALogP
3
HBA
2
HBD
71.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoblastoma-associated protein CHEMBL5288 | IC50 | 5.32 | 5.32 | 4810.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.26 | 5.26 | 5520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoblastoma-associated protein | IC50 | = | 4810.0 | nM | 5.32 | Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells a... | 28431342 |
| Unchecked | IC50 | = | 5520.0 | nM | 5.26 | Inhibition of ERK phosphorylation in human MDA-MB-231 cells after 1 hr | 28431342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28431342 | 10.1016/j.ejmech.2017.02.062 | Unchecked | 1 |
| 28431342 | 10.1016/j.ejmech.2017.02.062 | Retinoblastoma-associated protein | 1 |
Data from ChEMBL 36 via Core Engine