Compound Detail
CHEMBL4280828
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Basic Information
| ChEMBL ID | CHEMBL4280828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMGUNWBYLXHVDC-VOMIJIAVSA-N |
| Parent Compound | CHEMBL4301480 |
| Active Moiety | CHEMBL4301480 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.54
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| FL5.12 CHEMBL4296414 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| FL5.12 | IC50 | = | 25000.0 | nM | 4.6 | Cytotoxicity against mouse FL5.12 cells after 48 hrs by DAPI or propidium iodide... | 30292898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30292898 | 10.1016/j.ejmech.2018.09.043 | FL5.12 | 7 |
| 30292898 | 10.1016/j.ejmech.2018.09.043 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine