Compound Detail
CHEMBL4558190
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O=C(O)c1ccc(C2CC(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c3ccc(OC(F)F)cc3O2)cc1
Basic Information
| ChEMBL ID | CHEMBL4558190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVDYQHXNAQHIKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
559.5
MW (Da)
5.72
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 0.5 | nM | 9.3 | Corrector activity at CFTR F508del mutant (unknown origin) | 31326599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31326599 | 10.1016/j.ejmech.2019.07.037 | Cystic fibrosis transmembrane conductance regulator | 1 |
Data from ChEMBL 36 via Core Engine