Compound Detail
CHEMBL5994988
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Basic Information
| ChEMBL ID | CHEMBL5994988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJVUUEPNFHMZKC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.88
ALogP
4
HBA
4
HBD
113.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 7.51 | 7.51 | 30.8 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | IC50 | 6.6 | 6.6 | 253.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 30.8 | nM | 7.51 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
| Sphingosine 1-phosphate receptor 3 | IC50 | = | 253.0 | nM | 6.6 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
Data from ChEMBL 36 via Core Engine