Compound Detail
CHEMBL3884683
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Basic Information
| ChEMBL ID | CHEMBL3884683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXFIAIQWQIPUAS-CMDGGOBGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.72
ALogP
7
HBA
0
HBD
84.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.87 | 5.53 | 1360.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1360.0 | nM | 5.87 | Antiproliferative activity against human K562 cells after 48 hrs by MTT assay | 28038941 |
| NON-PROTEIN TARGET | IC50 | = | 2020.0 | nM | 5.7 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 28038941 |
| NON-PROTEIN TARGET | IC50 | = | 9550.0 | nM | 5.02 | Cytotoxicity against human WI38 cells assessed as reduction in cell viability af... | 28038941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28038941 | 10.1016/j.bmc.2016.12.019 | NON-PROTEIN TARGET | 3 |
Data from ChEMBL 36 via Core Engine