Compound Detail
CHEMBL4204756
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Basic Information
| ChEMBL ID | CHEMBL4204756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBKZECSBWVJORL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
4.38
ALogP
7
HBA
3
HBD
106.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 7.54 | 7.54 | 29.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 29.1 | nM | 7.54 | Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell me... | 29249563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29249563 | 10.1016/j.bmcl.2017.12.010 | Sphingosine 1-phosphate receptor 2 | 1 |
| 29249563 | 10.1016/j.bmcl.2017.12.010 | Sphingosine 1-phosphate receptor 1 | 1 |
| 29249563 | 10.1016/j.bmcl.2017.12.010 | Sphingosine 1-phosphate receptor 3 | 1 |
| 29249563 | 10.1016/j.bmcl.2017.12.010 | Sphingosine 1-phosphate receptor 4 | 1 |
| 29249563 | 10.1016/j.bmcl.2017.12.010 | Sphingosine 1-phosphate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine