Compound Detail
CHEMBL6006970
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
COc1c(F)cccc1COC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1
Basic Information
| ChEMBL ID | CHEMBL6006970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYOYUPNHHAKWJZ-FTGWLVSGSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
4.23
ALogP
5
HBA
3
HBD
111.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.26
IC50 1 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 | 7.26 | 55.0 | 2 |
| Sphingosine-1-phosphate lyase 1 CHEMBL3286061 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
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 | Receptor [35S] GTPgammaS Binding Assays: (S1P1 GTPgammaS/S1P3 GTPgammaS): Compou... | - |
| 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 | IC50 | = | 55.0 | nM | 7.26 | S1P1 Binding Assay: Membranes were prepared from CHO cells expressing human S1P1... | - |
Data from ChEMBL 36 via Core Engine