Compound Detail
CHEMBL2018176
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Basic Information
| ChEMBL ID | CHEMBL2018176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCHUWKYIGGNCCP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
5.34
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 10.9 | 10.9 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 0.01259 | nM | 10.9 | Agonist activity at S1P1 receptor by Tango assay | 22429468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22429468 | 10.1016/j.bmcl.2012.02.083 | Sphingosine 1-phosphate receptor 1 | 1 |
| 22429468 | 10.1016/j.bmcl.2012.02.083 | Sphingosine 1-phosphate receptor 3 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine