Compound Detail
CHEMBL5963020
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CN1CCc2c([nH]c3ccc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)cc23)C1CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL5963020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMKJKPPTJLNUSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
6.43
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 7.3 | nM | 8.14 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
Data from ChEMBL 36 via Core Engine