Compound Detail
CHEMBL494804
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Basic Information
| ChEMBL ID | CHEMBL494804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQFPTEUZYOCIGQ-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.00
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against human HCT116 cells | 18343127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18343127 | 10.1016/j.bmc.2008.02.073 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine