Compound Detail
CHEMBL5901198
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Basic Information
| ChEMBL ID | CHEMBL5901198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MREVGTRWACILNL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.9
MW (Da)
3.38
ALogP
8
HBA
3
HBD
117.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 13.0 | nM | 7.89 | In Vitro Binding Assay: I. Master Stock SolutionUnless specified otherwise, the ... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 29.0 | nM | 7.54 | In Vitro Binding Assay: I. Master Stock SolutionUnless specified otherwise, the ... | - |
Data from ChEMBL 36 via Core Engine