Compound Detail
CHEMBL4864744
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Basic Information
| ChEMBL ID | CHEMBL4864744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSFYPNXYOYVDIG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.2
MW (Da)
3.64
ALogP
6
HBA
3
HBD
96.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 8.03 | 6.715 | 9.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 9.3 | nM | 8.03 | Antagonist activity at recombinant human S1P2 receptor expressed in human CHO ce... | 33939425 |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 4000.0 | nM | 5.4 | Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC... | 33939425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33939425 | 10.1021/acs.jmedchem.1c00138 | Sphingosine 1-phosphate receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine