Compound Detail
CHEMBL5963506
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CC(c1cn(-c2ccccc2F)nn1)c1c(C#N)c(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnn12
Basic Information
| ChEMBL ID | CHEMBL5963506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKJVGDUFBKYXLC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
3.53
ALogP
10
HBA
1
HBD
136.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 8.04 | 7.6525 | 9.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 9.14 | nM | 8.04 | FRT Ion Flux Assay of F508del CFTR Potentiation: Fischer rat thyroid (FRT) cell ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 11.2 | nM | 7.95 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 46.8 | nM | 7.33 | FRT Ion Flux Assay of F508del CFTR Potentiation: Fischer rat thyroid (FRT) cell ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 51.1 | nM | 7.29 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
Data from ChEMBL 36 via Core Engine