Compound Detail
CHEMBL244711
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Basic Information
| ChEMBL ID | CHEMBL244711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVMAKQBLLDIYOI-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
451.2
MW (Da)
5.24
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 5.95 | 5.95 | 1122.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.58 | 5.58 | 2640.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.51 | 5.51 | 3060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 660.0 | nM | 6.18 | Cytotoxicity against human Jurkat cells by MTS assay after 24 hrs | 17887662 |
| A-375 | IC50 | = | 890.0 | nM | 6.05 | Cytotoxicity against human A375 cells by MTS assay after 24 hrs | 17887662 |
| NON-PROTEIN TARGET | IC50 | = | 980.0 | nM | 6.01 | Cytotoxicity against human MD-MB-231 cells by MTS assay after 24 hrs | 17887662 |
| U-937 | IC50 | = | 1130.0 | nM | 5.95 | Cytotoxicity against human U937 cells by MTS assay after 24 hrs | 17887662 |
| U-937 | IC50 | = | 1122.02 | nM | 5.95 | Anticancer activity against human U937 cells by MTS assay | 20056518 |
| HCT-116 | IC50 | = | 1660.0 | nM | 5.78 | Cytotoxicity against human HCT116 cells by MTS assay after 24 hrs | 17887662 |
| MCF7 | IC50 | = | 2640.0 | nM | 5.58 | Cytotoxicity against human MCF7 cells by MTS assay after 24 hrs | 17887662 |
| PC-3 | IC50 | = | 3060.0 | nM | 5.51 | Cytotoxicity against human PC3 cells by MTS assay after 24 hrs | 17887662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17887662 | 10.1021/jm0704189 | U-937 | 2 |
| 17887662 | 10.1021/jm0704189 | Jurkat | 1 |
| 17887662 | 10.1021/jm0704189 | MCF7 | 1 |
| 17887662 | 10.1021/jm0704189 | PC-3 | 1 |
| 17887662 | 10.1021/jm0704189 | NON-PROTEIN TARGET | 1 |
| 17887662 | 10.1021/jm0704189 | HCT-116 | 1 |
| 17887662 | 10.1021/jm0704189 | A-375 | 1 |
| 20056518 | 10.1016/j.ejmech.2009.12.010 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine