Compound Detail
CHEMBL576322
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Basic Information
| ChEMBL ID | CHEMBL576322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAWQESFNBIZODU-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.77
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-435 CHEMBL614697 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.68 | 5.455 | 2100.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 5.6 | 5.6 | 2510.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 5.58 | 5.58 | 2610.0 | 1 |
| SF-295 CHEMBL614908 | IC50 | 5.36 | 5.36 | 4330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-435 | IC50 | = | 590.0 | nM | 6.23 | Cytotoxicity against human MDA-MB-435 cells after 72 hrs by MTT assay | 19947600 |
| PBMC | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human PBMC after 72 hrs by alamar blue assay | 20378360 |
| HL-60 | IC50 | = | 2510.0 | nM | 5.6 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 19947600 |
| HCT-8 | IC50 | = | 2610.0 | nM | 5.58 | Cytotoxicity against human HCT8 cells after 72 hrs by MTT assay | 19947600 |
| SF-295 | IC50 | = | 4330.0 | nM | 5.36 | Cytotoxicity against human SF295 cells after 72 hrs by MTT assay | 19947600 |
| PBMC | IC50 | = | 5930.0 | nM | 5.23 | Cytotoxicity against human PBMC after 72 hrs by alamar blue assay | 19947600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19947600 | 10.1021/jm900865m | PBMC | 5 |
| 19947600 | 10.1021/jm900865m | ADMET | 1 |
| 19947600 | 10.1021/jm900865m | SF-295 | 1 |
| 19947600 | 10.1021/jm900865m | HCT-8 | 1 |
| 19947600 | 10.1021/jm900865m | MDA-MB-435 | 1 |
| 19947600 | 10.1021/jm900865m | HL-60 | 1 |
| 20378360 | 10.1016/j.bmc.2010.03.029 | Trypanosoma cruzi | 1 |
| 20378360 | 10.1016/j.bmc.2010.03.029 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine