Compound Detail
CHEMBL197502
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Basic Information
| ChEMBL ID | CHEMBL197502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORSLEBNPFFMHND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.28
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 27.0 | nM | 7.57 | Concentration required for displacement of [33P]-labeled S1P from human sphingos... | 16190743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190743 | 10.1021/jm0503244 | Sphingosine 1-phosphate receptor 1 | 1 |
| 16190743 | 10.1021/jm0503244 | Sphingosine 1-phosphate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine