Compound Detail
CHEMBL3403621
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Basic Information
| ChEMBL ID | CHEMBL3403621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQWGVONGFYIGMI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
7.32
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.85 | 8.775 | 1.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 1.4 | nM | 8.85 | Agonist activity at human S1P1 receptor assessed as change in cAMP level by homo... | 25532755 |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human S1P1 receptor assessed as change in cAMP level by homo... | 25532755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37948883 | 10.1016/j.ejmech.2023.115921 | Staphylococcus aureus | 7 |
| 25532755 | 10.1016/j.bmcl.2014.11.089 | Sphingosine 1-phosphate receptor 1 | 4 |
| 37948883 | 10.1016/j.ejmech.2023.115921 | Staphylococcus epidermidis | 2 |
| 37948883 | 10.1016/j.ejmech.2023.115921 | Enterococcus faecalis | 2 |
| 37948883 | 10.1016/j.ejmech.2023.115921 | Enterococcus faecium | 1 |
| 37948883 | 10.1016/j.ejmech.2023.115921 | Pseudomonas aeruginosa | 1 |
| 37948883 | 10.1016/j.ejmech.2023.115921 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine