Compound Detail
CHEMBL5855529
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nn(C)c2nc(N(CCO)NC(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)cc(C(C)C)c12
Basic Information
| ChEMBL ID | CHEMBL5855529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQFTUNJTYRFPQS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.9
MW (Da)
4.61
ALogP
6
HBA
3
HBD
95.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 74.0 | nM | 7.13 | In Vitro Binding Assay: I. Master Stock SolutionUnless specified otherwise, the ... | - |
Data from ChEMBL 36 via Core Engine