Compound Detail
CHEMBL579621
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Basic Information
| ChEMBL ID | CHEMBL579621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUYRUNKZVZVHHE-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
4.45
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.01
EC50 2 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.61 | 5.61 | 2430.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.0 | 4.925 | 9971.0 | 2 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | IC50 | = | 980.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ant... | - |
| HEK293 | EC50 | = | 2430.0 | nM | 5.61 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 9971.0 | nM | 5.0 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 12800.0 | nM | 4.89 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 14156.0 | nM | 4.85 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine