Compound Detail
CHEMBL509212
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Basic Information
| ChEMBL ID | CHEMBL509212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNKUJZXHKKCWCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.96
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against human HCT116 cells by MTT assay | 12713410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12713410 | 10.1021/np020593m | Staphylococcus aureus | 1 |
| 12713410 | 10.1021/np020593m | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine