Compound Detail
CHEMBL576675
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Basic Information
| ChEMBL ID | CHEMBL576675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCSZCZYKNIBBLV-UHFFFAOYSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
380.3
MW (Da)
4.80
ALogP
4
HBA
2
HBD
54.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| M14 CHEMBL614317 | IC50 | 6.71 | 6.71 | 194.0 | 1 |
| A10 CHEMBL614513 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.64 | 6.58 | 230.0 | 2 |
| HUVEC CHEMBL613979 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 43.0 | nM | 7.37 | Growth inhibition of human MCF7 cells after 48 hrs by sulforhodamine B assay | 19601594 |
| U-937 | IC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against human U937 cells after 48 hrs by MTT assay | 19601594 |
| M14 | IC50 | = | 194.0 | nM | 6.71 | Cytotoxicity against human M14 cells after 48 hrs by MTT assay | 19601594 |
| A10 | IC50 | = | 210.0 | nM | 6.68 | Growth inhibition of rat A10 cells | 19601594 |
| HEK293 | IC50 | = | 220.0 | nM | 6.66 | Cytotoxicity against HEK293 cells after 48 hrs by MTT assay | 19601594 |
| ADMET | IC50 | = | 230.0 | nM | 6.64 | Growth inhibition of Potorous tridactylus PtK2 cells | 19601594 |
| ADMET | IC50 | = | 300.0 | nM | 6.52 | Growth inhibition of HSMC | 19601594 |
| HUVEC | IC50 | = | 400.0 | nM | 6.4 | Growth inhibition of HUVEC | 19601594 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of tubulin polymerization after 20 mins by spectrophotometry | 19601594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19601594 | 10.1021/jm900016t | HEK293 | 5 |
| 19601594 | 10.1021/jm900016t | M14 | 5 |
| 19601594 | 10.1021/jm900016t | MCF7 | 4 |
| 19601594 | 10.1021/jm900016t | Unchecked | 3 |
| 19601594 | 10.1021/jm900016t | U-937 | 3 |
| 19601594 | 10.1021/jm900016t | ADMET | 3 |
| 19601594 | 10.1021/jm900016t | HeLa | 2 |
| 19601594 | 10.1021/jm900016t | HCT-116 | 2 |
| 19601594 | 10.1021/jm900016t | Saccharomyces cerevisiae | 2 |
| 19601594 | 10.1021/jm900016t | A10 | 1 |
| 19601594 | 10.1021/jm900016t | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine