Compound Detail
CHEMBL4794876
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Basic Information
| ChEMBL ID | CHEMBL4794876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSIGQAXQCUFILR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.7
MW (Da)
1.15
ALogP
6
HBA
2
HBD
112.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 5.82 | 5.82 | 1510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 1510.0 | nM | 5.82 | Potentiator activity at CFTR F508del mutant (unknown origin) expressed in CFBE41... | 32078860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32078860 | 10.1016/j.ejmech.2020.112116 | Cystic fibrosis transmembrane conductance regulator | 20 |
| 32078860 | 10.1016/j.ejmech.2020.112116 | HeLa | 1 |
| 32078860 | 10.1016/j.ejmech.2020.112116 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine