Compound Detail
CHEMBL5202275
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COc1ccc(C)cc1C1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CC1c1ccc(C)cc1
Basic Information
| ChEMBL ID | CHEMBL5202275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHGWSSDCGQVTTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.10
ALogP
5
HBA
1
HBD
85.4
PSA (Ų)
0.40
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 0.8 | nM | 9.1 | Modulation of homozygous F508del/F508del CFTR mutant in HBE cells incubated for ... | 36262401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36262401 | 10.1021/acsmedchemlett.2c00406 | Cystic fibrosis transmembrane conductance regulator | 1 |
Data from ChEMBL 36 via Core Engine