Compound Detail
CHEMBL5222527
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Basic Information
| ChEMBL ID | CHEMBL5222527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBRMRLCSXVNEMV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.4
MW (Da)
4.30
ALogP
7
HBA
1
HBD
86.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 7.81 | 7.81 | 15.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 15.4 | nM | 7.81 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 15.4 | nM | 7.81 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
Data from ChEMBL 36 via Core Engine