Compound Detail
CHEMBL230535
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Basic Information
| ChEMBL ID | CHEMBL230535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DENODXZNCOIXQF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
1.89
ALogP
4
HBA
0
HBD
63.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 18000.0 | nM | 4.75 | Cytotoxicity against Vero cells | 17234303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234303 | 10.1016/j.ejmech.2006.12.003 | Neutrophil | 3 |
| 17234303 | 10.1016/j.ejmech.2006.12.003 | Vero | 1 |
| 17234303 | 10.1016/j.ejmech.2006.12.003 | No relevant target | 1 |
| 17234303 | 10.1016/j.ejmech.2006.12.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine