Compound Detail
CHEMBL5411968
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Basic Information
| ChEMBL ID | CHEMBL5411968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZVUYJGCYLMFGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.9
MW (Da)
5.02
ALogP
6
HBA
4
HBD
122.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 0.7943 | nM | 9.1 | 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