Compound Detail
CHEMBL3356646
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Basic Information
| ChEMBL ID | CHEMBL3356646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZDRQXORFYIGGS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
4.56
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 8.05 | 7.715 | 9.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 700.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 60.7 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 9.0 | nM | 8.05 | Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after... | 25441013 |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 42.0 | nM | 7.38 | Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial ce... | 25441013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25441013 | 10.1021/jm5012808 | Rattus norvegicus | 4 |
| 25441013 | 10.1021/jm5012808 | Cystic fibrosis transmembrane conductance regulator | 2 |
Data from ChEMBL 36 via Core Engine