Compound Detail
CHEMBL5801829
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 | CHEMBL5801829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIFSBFRLNKEBBA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
5.26
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | EC50 | 7.2 | 7.2 | 63.1 | 2 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 5.7 | 5.7 | 1995.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 63.1 | nM | 7.2 | In Vitro Functional Activity (Agonism) on Human S1P5 Receptors: The CHO-human-S1... | - |
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 63.1 | nM | 7.2 | In Vitro Functional Activity (Agonism) on Human S1P5 Receptors : The CHO-human-S... | - |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 1995.0 | nM | 5.7 | In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method B): The C... | - |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 1995.0 | nM | 5.7 | In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method B): The C... | - |
Data from ChEMBL 36 via Core Engine