Compound Detail
CHEMBL5860580
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC(c1cnn(-c2ccccc2F)c1)n1nc(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL5860580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFZUNERWCCUFTA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
4.21
ALogP
9
HBA
1
HBD
113.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 8.81 | 7.935 | 1.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 1.53 | nM | 8.81 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 4.76 | nM | 8.32 | FRT Ion Flux Assay of F508del CFTR Potentiation: Fischer rat thyroid (FRT) cell ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 31.0 | nM | 7.51 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 78.8 | nM | 7.1 | FRT Ion Flux Assay of F508del CFTR Potentiation: Fischer rat thyroid (FRT) cell ... | - |
Data from ChEMBL 36 via Core Engine