Compound Detail
CHEMBL198505
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Basic Information
| ChEMBL ID | CHEMBL198505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFDZJGIBIWMOJQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.0
MW (Da)
6.81
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.86
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor homolog US28 CHEMBL4259 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| G-protein coupled receptor homolog US28 CHEMBL4259 | EC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor homolog US28 | IC50 | = | 10500.0 | nM | 4.98 | Inhibitory concentration against chemokine receptor US28 expressed in COS-7 cell... | 16190772 |
| G-protein coupled receptor homolog US28 | EC50 | = | 13800.0 | nM | 4.86 | Effective concentration against US28-mediated inositol phosphate production in C... | 16190772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190772 | 10.1021/jm050418d | G-protein coupled receptor homolog US28 | 2 |
Data from ChEMBL 36 via Core Engine