Compound Detail
CHEMBL425428
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Basic Information
| ChEMBL ID | CHEMBL425428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTXBVDDHKJIOBJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.03
ALogP
6
HBA
1
HBD
88.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cells | 16697189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16697189 | 10.1016/j.bmcl.2006.04.084 | Unchecked | 2 |
| 16697189 | 10.1016/j.bmcl.2006.04.084 | Sphingosine 1-phosphate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine