Compound Detail
CHEMBL1085191
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1085191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOAQPIKVUDKYHT-FQEVSTJZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
3.83
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 6.17 | 6.17 | 670.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 6.02 | 6.02 | 960.0 | 1 |
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | EC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 670.0 | nM | 6.17 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induc... | 20153186 |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 960.0 | nM | 6.02 | Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induc... | 20153186 |
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 3600.0 | nM | 5.44 | Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induc... | 20153186 |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 6400.0 | nM | 5.19 | Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induc... | 20153186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153186 | 10.1016/j.bmcl.2010.01.118 | Sphingosine 1-phosphate receptor 1 | 1 |
| 20153186 | 10.1016/j.bmcl.2010.01.118 | Sphingosine 1-phosphate receptor 2 | 1 |
| 20153186 | 10.1016/j.bmcl.2010.01.118 | Sphingosine 1-phosphate receptor 3 | 1 |
| 20153186 | 10.1016/j.bmcl.2010.01.118 | Sphingosine 1-phosphate receptor 4 | 1 |
| 20153186 | 10.1016/j.bmcl.2010.01.118 | Sphingosine 1-phosphate receptor 5 | 1 |
| 20153186 | 10.1016/j.bmcl.2010.01.118 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine