Compound Detail
CHEMBL3356645
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Basic Information
| ChEMBL ID | CHEMBL3356645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWYOSVXSTCFCQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.82
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 100.0 | nM | 7.0 | Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after... | 25441013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25441013 | 10.1021/jm5012808 | Cystic fibrosis transmembrane conductance regulator | 1 |
Data from ChEMBL 36 via Core Engine