Compound Detail
CHEMBL3933231
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CC(C)(CCOC[C@@H](O)CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3933231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSIJVCMKFAFADX-KRWDZBQOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
4.34
ALogP
6
HBA
4
HBD
113.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 6.54 | 6.54 | 285.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 285.0 | nM | 6.54 | Correction activity at CFTR F508 deletion mutant (unknown origin) expressed in m... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 285.0 | nM | 6.54 | Ussing Chamber Assay: Single-Channel Recordings activity of wt-CFTR and temperat... | - |
Data from ChEMBL 36 via Core Engine