Compound Detail
CHEMBL5741678
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Basic Information
| ChEMBL ID | CHEMBL5741678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUJFAYXHQBRKMQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.59
ALogP
7
HBA
2
HBD
89.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.0 | 8.0 | 10.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 10.1 | nM | 8.0 | S1P1 assay: The method involves contacting the receptor with a suitable concentr... | - |
Data from ChEMBL 36 via Core Engine