Compound Detail
CHEMBL3742245
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Basic Information
| ChEMBL ID | CHEMBL3742245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFEMYVMDEXEDAA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
3.44
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 10.0 | nM | 8.0 | Displacement of [33P]S1P from S1P5 receptor (unknown origin) expressed in HEK ce... | 26509640 |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 1780.0 | nM | 5.75 | Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK ce... | 26509640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26509640 | 10.1021/acs.jmedchem.5b00928 | Sphingosine 1-phosphate receptor 1 | 1 |
| 26509640 | 10.1021/acs.jmedchem.5b00928 | Sphingosine 1-phosphate receptor 5 | 1 |
| 26509640 | 10.1021/acs.jmedchem.5b00928 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine