Compound Detail
CHEMBL53343
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Basic Information
| ChEMBL ID | CHEMBL53343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZNAGLGLKRUIPD-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.72
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.14 | 4.14 | 71980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 71980.0 | nM | 4.14 | Cytotoxicity against human MOLT3 cells by XTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729671 | 10.1016/s0960-894x(03)00197-5 | H9 | 2 |
| 20886838 | 10.1021/np1002753 | Neuraminidase | 2 |
| - | 10.1039/C3MD00166K | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C3MD00166K | A549 | 1 |
| - | 10.1039/C3MD00166K | HepG2 | 1 |
| - | 10.1039/C3MD00166K | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine