Compound Detail
CHEMBL5911421
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Basic Information
| ChEMBL ID | CHEMBL5911421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDRQLTIDTBIFBT-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.0
MW (Da)
5.63
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | EC50 | 6.9 | 6.9 | 126.0 | 2 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 5.6 | 5.6 | 2512.0 | 2 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 5.1 | 5.1 | 7943.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 126.0 | nM | 6.9 | In Vitro Functional Activity (Agonism) on Human S1P5 Receptors: The CHO-human-S1... | - |
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 126.0 | nM | 6.9 | In Vitro Functional Activity (Agonism) on Human S1P5 Receptors : The CHO-human-S... | - |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 2512.0 | nM | 5.6 | In Vitro Functional Activity (Agonism) on Human S1P3 Receptors: The CHO-human-S1... | - |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 2512.0 | nM | 5.6 | In Vitro Functional Activity (Agonism) on Human S1P3 Receptors: The CHO-human-S1... | - |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 7943.0 | nM | 5.1 | In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method A): The C... | - |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 7943.0 | nM | 5.1 | In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method A): The C... | - |
Data from ChEMBL 36 via Core Engine