Compound Detail
CHEMBL4800546
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Basic Information
| ChEMBL ID | CHEMBL4800546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVIMNBGJKHLWFR-CSKARUKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.9
MW (Da)
5.29
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C6 CHEMBL614657 | EC50 | 4.44 | 4.44 | 36600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C6 | EC50 | = | 36600.0 | nM | 4.44 | Antiproliferative activity against rat C6 cells assessed as cell growth inhibiti... | 31978780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31978780 | 10.1016/j.ejmech.2019.111981 | Unchecked | 3 |
| 31978780 | 10.1016/j.ejmech.2019.111981 | U-251 | 1 |
| 31978780 | 10.1016/j.ejmech.2019.111981 | C6 | 1 |
| 31978780 | 10.1016/j.ejmech.2019.111981 | Astrocyte | 1 |
Data from ChEMBL 36 via Core Engine