Compound Detail
CHEMBL576027
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Basic Information
| ChEMBL ID | CHEMBL576027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMYZVXXEEODNEZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
4.60
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.55 | 4.55 | 28183.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2500.0 | nM | 5.6 | Activation of NF-KappaB (unknown origin) expressed in SH-SY5Y cells co-transfect... | 33139114 |
| NON-PROTEIN TARGET | IC50 | = | 28183.83 | nM | 4.55 | Growth inhibition of human RCC4 cells after 4 days by XTT assay | 21561782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33139114 | 10.1016/j.ejmech.2020.112952 | Unchecked | 2 |
| 19994864 | 10.1021/jm901457w | NON-PROTEIN TARGET | 1 |
| 19994864 | 10.1021/jm901457w | Unchecked | 1 |
| 21561782 | 10.1016/j.bmc.2011.04.042 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine