Compound Detail
CHEMBL5801918
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O=S(=O)(c1ccc(Oc2ccc(F)c3[nH]ncc23)c2c1[C@H](O)C(F)(F)C2)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5801918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXKBSLFAMIIKMT-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.3
MW (Da)
4.01
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | IC50 | = | 19.0 | nM | 7.72 | Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... | - |
Data from ChEMBL 36 via Core Engine