Compound Detail
CHEMBL224623
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Basic Information
| ChEMBL ID | CHEMBL224623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVHZTRSKNATTNM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
317.5
MW (Da)
4.50
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 70.0 | % | Rattus norvegicus |
| T1/2 | 1.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 11.0 | nM | 7.96 | Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed ... | 15615513 |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 18.0 | nM | 7.75 | Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed ... | 15615513 |
| Sphingosine 1-phosphate receptor 3 | IC50 | = | 4900.0 | nM | 5.31 | Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed ... | 15615513 |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 5400.0 | nM | 5.27 | Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed ... | 15615513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615513 | 10.1021/jm0492507 | Rattus norvegicus | 2 |
| 15615513 | 10.1021/jm0492507 | Sphingosine 1-phosphate receptor 1 | 1 |
| 15615513 | 10.1021/jm0492507 | Sphingosine 1-phosphate receptor 2 | 1 |
| 15615513 | 10.1021/jm0492507 | Sphingosine 1-phosphate receptor 3 | 1 |
| 15615513 | 10.1021/jm0492507 | Sphingosine 1-phosphate receptor 4 | 1 |
| 15615513 | 10.1021/jm0492507 | Sphingosine 1-phosphate receptor 5 | 1 |
| 15615513 | 10.1021/jm0492507 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine