Compound Detail
CHEMBL5755435
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Basic Information
| ChEMBL ID | CHEMBL5755435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTRXSBUIHCYTDW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
4.90
ALogP
6
HBA
3
HBD
96.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 8.92 | 8.02 | 1.2 | 2 |
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 8.66 | 7.72 | 2.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 1.2 | nM | 8.92 | In Vitro Binding Assay: I. Master Stock SolutionUnless specified otherwise, the ... | - |
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 2.2 | nM | 8.66 | In Vitro Binding Assay: I. Master Stock SolutionUnless specified otherwise, the ... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 75.0 | nM | 7.12 | In Vitro Binding Assay: I. Master Stock SolutionUnless specified otherwise, the ... | - |
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 165.0 | nM | 6.78 | In Vitro Binding Assay: I. Master Stock SolutionUnless specified otherwise, the ... | - |
Data from ChEMBL 36 via Core Engine