Compound Detail
CHEMBL5803343
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O=C(O)C1CCN(Cc2ccc(-c3noc(-c4ccc(OCCF)c(C(F)(F)F)c4)n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5803343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIASZRXRBZVOAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
5.07
ALogP
6
HBA
1
HBD
88.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 7.34 | 7.34 | 45.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 45.4 | nM | 7.34 | In Vitro Binding Assay: Newly synthesized compounds were first evaluated for bin... | - |
Data from ChEMBL 36 via Core Engine