Compound Detail
CHEMBL4288280
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Basic Information
| ChEMBL ID | CHEMBL4288280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMDDZGIOCHCPKH-RQBPZYBGSA-N |
| Parent Compound | CHEMBL4302713 |
| Active Moiety | CHEMBL4302713 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
4.52
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| FL5.12 CHEMBL4296414 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| FL5.12 | IC50 | = | 4000.0 | nM | 5.4 | 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 |
Data from ChEMBL 36 via Core Engine