Compound Detail
CHEMBL5438034
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Basic Information
| ChEMBL ID | CHEMBL5438034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYZTXDCPUPYILV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
3.57
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 1.995 | nM | 8.7 | Modulation of S1PR1 (unknown origin) | 36758307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36758307 | 10.1016/j.ejmech.2023.115182 | Sphingosine 1-phosphate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine