Compound Detail
CHEMBL1224783
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Basic Information
| ChEMBL ID | CHEMBL1224783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZYDXLNQYNGTGS-OTYYAQKOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.99
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.89
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| MDA-MB-231 CHEMBL400 | EC50 | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of NF-kappaB activation in human K562 cells | 20728364 |
| MDA-MB-231 | EC50 | = | 12900.0 | nM | 4.89 | Cytotoxicity against human MDA-MB-231 cells after 72 hrs by SRB assay | 20728364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20728364 | 10.1016/j.bmc.2010.07.063 | Unchecked | 1 |
| 20728364 | 10.1016/j.bmc.2010.07.063 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine