Compound Detail
CHEMBL153072
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Basic Information
| ChEMBL ID | CHEMBL153072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNBCDNSGZAPUEF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.7
MW (Da)
4.31
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.68
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.68 | 4.68 | 20660.0 | 1 |
| Proline--tRNA ligase, cytoplasmic CHEMBL4636 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 4.37 | 4.37 | 42730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 20660.0 | nM | 4.68 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Proline--tRNA ligase, cytoplasmic | IC50 | = | 32000.0 | nM | 4.5 | Aminoacylation activity against Candida albicans prolyl-tRNA synthetase | 11229766 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 42730.0 | nM | 4.37 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Proline--tRNA ligase, cytoplasmic | 1 |
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Bifunctional glutamate/proline--tRNA ligase | 1 |
Data from ChEMBL 36 via Core Engine