Compound Detail
CHEMBL5222733
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Basic Information
| ChEMBL ID | CHEMBL5222733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHXTXRZADPVWNK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
4.26
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 8.18 | 8.1733 | 6.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 6.67 | nM | 8.18 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 6.7 | nM | 8.17 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 6.7 | nM | 8.17 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
Data from ChEMBL 36 via Core Engine