Compound Detail
CHEMBL4455831
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Basic Information
| ChEMBL ID | CHEMBL4455831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDWMAAWUIIGDRZ-FBKGQEJMSA-N |
| Parent Compound | CHEMBL4596807 |
| Active Moiety | CHEMBL4596807 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.6
MW (Da)
5.47
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| FL5.12 CHEMBL4296414 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| FL5.12 | IC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against mouse FL5.12A cells after 48 hrs by DAPI staining-based flo... | 27475534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27475534 | 10.1016/j.bmc.2016.07.038 | FL5.12 | 3 |
Data from ChEMBL 36 via Core Engine