Compound Detail
CHEMBL5853192
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
N#Cc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)(F)F)c3c2C[C@@H](F)[C@H]3O)c1
Basic Information
| ChEMBL ID | CHEMBL5853192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOTLBAUXAAIICJ-MLGOLLRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
3.71
ALogP
5
HBA
1
HBD
87.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | IC50 | = | 13.0 | nM | 7.89 | Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... | - |
Data from ChEMBL 36 via Core Engine