Compound Detail
CHEMBL5874736
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Basic Information
| ChEMBL ID | CHEMBL5874736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOOKWLSCBQCZAR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.90
ALogP
6
HBA
0
HBD
70.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 7.93 | 7.93 | 11.7 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 11.7 | nM | 7.93 | S1P1 assay: The method involves contacting the receptor with a suitable concentr... | - |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 3400.0 | nM | 5.47 | S1P1 assay: The method involves contacting the receptor with a suitable concentr... | - |
Data from ChEMBL 36 via Core Engine