Compound Detail
CHEMBL1452805
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 | CHEMBL1452805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMKXHTDCKLZHIM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.60
ALogP
6
HBA
0
HBD
70.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.5 | 8.465 | 3.2 | 2 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 6.18 | 6.18 | 661.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 3.162 | nM | 8.5 | Agonist activity at human S1PR1 expressed in CHO cells coexpressing CRE-beta-lac... | 36758307 |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 3.7 | nM | 8.43 | S1P1 assay: The method involves contacting the receptor with a suitable concentr... | - |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 661.0 | nM | 6.18 | S1P1 assay: The method involves contacting the receptor with a suitable concentr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36758307 | 10.1016/j.ejmech.2023.115182 | Sphingosine 1-phosphate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine