Compound Detail
CHEMBL1090223
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Basic Information
| ChEMBL ID | CHEMBL1090223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBCJASGKMQEDNP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.9
MW (Da)
4.32
ALogP
5
HBA
4
HBD
122.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 1.6 | nM | 8.8 | Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed ... | 20337461 |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intra... | 20337461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20337461 | 10.1021/jm901776q | Sphingosine 1-phosphate receptor 1 | 1 |
| 20337461 | 10.1021/jm901776q | Sphingosine 1-phosphate receptor 3 | 1 |
| 20337461 | 10.1021/jm901776q | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine