Compound Detail
CHEMBL3401375
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Basic Information
| ChEMBL ID | CHEMBL3401375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDTNDGDKXXSUJU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.80
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.60
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL3616360 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.92 | 5.92 | 1200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 27.0 | nM | 7.57 | Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the h... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 1200.0 | nM | 5.92 | Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed a... | 25746814 |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 1200.0 | nM | 5.92 | Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells afte... | 25746814 |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 1200.0 | nM | 5.92 | Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the h... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25746814 | 10.1016/j.bmcl.2015.02.029 | Sphingosine 1-phosphate receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine