Compound Detail
CHEMBL1938950
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Basic Information
| ChEMBL ID | CHEMBL1938950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVPXKUCCPFYUHG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
4.27
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human S1P1 receptor expressed in human U2OS cells co-express... | 22104144 |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 2500.0 | nM | 5.6 | Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing ... | 22104144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22104144 | 10.1016/j.bmcl.2011.10.085 | No relevant target | 3 |
| 22104144 | 10.1016/j.bmcl.2011.10.085 | Sphingosine 1-phosphate receptor 1 | 2 |
| 22104144 | 10.1016/j.bmcl.2011.10.085 | LLC-PK1 | 2 |
| 22104144 | 10.1016/j.bmcl.2011.10.085 | Sphingosine 1-phosphate receptor 3 | 1 |
| 22104144 | 10.1016/j.bmcl.2011.10.085 | Liver microsomes | 1 |
| 22104144 | 10.1016/j.bmcl.2011.10.085 | Rattus norvegicus | 1 |
| 22104144 | 10.1016/j.bmcl.2011.10.085 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine