Compound Detail
CHEMBL1946665
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Basic Information
| ChEMBL ID | CHEMBL1946665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSTDCXDXWYRRNE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
303.8
MW (Da)
4.30
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.49 | 5.49 | 3250.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.23 | 5.23 | 5890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human A2780/CDDP cells after 48 hrs by MTT as... | 25350923 |
| A2780 | IC50 | = | 1350.0 | nM | 5.87 | Antiproliferative activity against human A2780 cells after 48 hrs by MTT assay | 25350923 |
| HeLa | IC50 | = | 1480.0 | nM | 5.83 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 25350923 |
| A549 | IC50 | = | 3250.0 | nM | 5.49 | Antiproliferative activity against human A549 cells after 48 hrs by MTT assay | 25350923 |
| HUVEC | IC50 | = | 5890.0 | nM | 5.23 | Antiproliferative activity against HUVEC after 48 hrs by MTT assay | 25350923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22265685 | 10.1016/j.ejmech.2011.12.025 | A549 | 12 |
| 25350923 | 10.1021/jm500613m | A2780 | 2 |
| 22265685 | 10.1016/j.ejmech.2011.12.025 | KB | 1 |
| 22265685 | 10.1016/j.ejmech.2011.12.025 | NON-PROTEIN TARGET | 1 |
| 22265685 | 10.1016/j.ejmech.2011.12.025 | DU-145 | 1 |
| 25350923 | 10.1021/jm500613m | HeLa | 1 |
| 25350923 | 10.1021/jm500613m | A549 | 1 |
| 25350923 | 10.1021/jm500613m | NON-PROTEIN TARGET | 1 |
| 25350923 | 10.1021/jm500613m | HUVEC | 1 |
| 25350923 | 10.1021/jm500613m | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine