Compound Detail
CHEMBL2059528
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Basic Information
| ChEMBL ID | CHEMBL2059528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INNSEEKXRWQEKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
5.44
ALogP
5
HBA
1
HBD
96.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 25.12 | nM | 7.6 | Agonist activity against S1P1 receptor by cell based FRET assay | 22500954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22500954 | 10.1021/jm2016107 | Sphingosine 1-phosphate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine