Compound Detail
CHEMBL4087529
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Basic Information
| ChEMBL ID | CHEMBL4087529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQVIRHGQMVUASM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
2.72
ALogP
5
HBA
3
HBD
110.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 8.7 | 7.805 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 2.0 | nM | 8.7 | Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o ... | 29148763 |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 123.0 | nM | 6.91 | Potentiation of CFTR G551D mutant (unknown origin) expressed in HEK293 cells inc... | 29148763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29148763 | 10.1021/acs.jmedchem.7b01288 | Cystic fibrosis transmembrane conductance regulator | 4 |
Data from ChEMBL 36 via Core Engine