Compound Detail
CHEMBL5745795
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Basic Information
| ChEMBL ID | CHEMBL5745795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJHBSCYJBMENCH-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.28
ALogP
4
HBA
3
HBD
102.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.26
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine-1-phosphate lyase 1 CHEMBL3286061 | EC50 | 7.26 | 6.5933 | 55.0 | 3 |
| Sphingosine-1-phosphate lyase 1 CHEMBL3286061 | IC50 | 7.26 | 6.26 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine-1-phosphate lyase 1 | EC50 | = | 55.0 | nM | 7.26 | hS1P1 ERK Phosphorylation (S1P1 pERK): hS1P1/CHO cells were plated into BD Amine... | - |
| Sphingosine-1-phosphate lyase 1 | EC50 | = | 55.0 | nM | 7.26 | Receptor [35S] GTPgammaS Binding Assays: (S1P1 GTPgammaS/S1P3 GTPgammaS): Compou... | - |
| Sphingosine-1-phosphate lyase 1 | IC50 | = | 55.0 | nM | 7.26 | S1P1 Binding Assay: Membranes were prepared from CHO cells expressing human S1P1... | - |
| Sphingosine-1-phosphate lyase 1 | EC50 | = | 5500.0 | nM | 5.26 | Receptor [35S] GTPgammaS Binding Assays: (S1P1 GTPgammaS/S1P3 GTPgammaS): Compou... | - |
| Sphingosine-1-phosphate lyase 1 | IC50 | = | 5500.0 | nM | 5.26 | S1P1 Binding Assay: Membranes were prepared from CHO cells expressing human S1P1... | - |
Data from ChEMBL 36 via Core Engine