Compound Detail
CHEMBL479368
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Basic Information
| ChEMBL ID | CHEMBL479368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INTXPLVFGPOGKD-RGVLZGJSSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.2
MW (Da)
4.01
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.32
EC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.32 | 5.32 | 4771.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.2 | 5.2 | 6316.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.17 | 5.17 | 6730.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.93 | 4.93 | 11783.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of Staphylococcus aureus MetRS assessed as decrease in [32S]methionin... | 18590962 |
| Tegument protein VP16 | IC50 | = | 4771.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 6316.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 6730.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 11783.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18590962 | 10.1016/j.bmcl.2008.06.032 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine