Compound Detail
CHEMBL5964878
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CCC(c1cn(-c2ccccc2F)nn1)c1c(C#N)c(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnn12
Basic Information
| ChEMBL ID | CHEMBL5964878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYKKSHHZLRYGFE-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.4
MW (Da)
3.92
ALogP
10
HBA
1
HBD
136.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 8.67 | 8.088 | 2.1 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 2.13 | nM | 8.67 | FRT Ion Flux Assay of F508del CFTR Potentiation: Fischer rat thyroid (FRT) cell ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 3.02 | nM | 8.52 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 7.86 | nM | 8.11 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 20.5 | nM | 7.69 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 35.8 | nM | 7.45 | FRT Ion Flux Assay of F508del CFTR Potentiation: Fischer rat thyroid (FRT) cell ... | - |
Data from ChEMBL 36 via Core Engine