Compound Detail
CHEMBL3948182
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COc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C[C@@H](O)CO)CC2(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL3948182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHOBEWKRVYAPEY-IHKRANBOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.61
ALogP
5
HBA
3
HBD
83.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 7.41 | 7.41 | 39.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 39.05 | nM | 7.41 | Correction activity at CFTR F508 deletion mutant (unknown origin) expressed in m... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 39.1 | nM | 7.41 | Ussing Chamber Assay: Single-Channel Recordings activity of wt-CFTR and temperat... | - |
Data from ChEMBL 36 via Core Engine