Compound Detail
CHEMBL210832
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Basic Information
| ChEMBL ID | CHEMBL210832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPJJUDAXEIWYQR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
3.63
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 6.49 | 6.49 | 326.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1400.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 326.0 | nM | 6.49 | Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o ... | 29148763 |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 326.0 | nM | 6.49 | Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o-... | 33399458 |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 326.0 | nM | 6.49 | Potentiation of CFTR F508del mutant (unknown origin) | 38194776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29148763 | 10.1021/acs.jmedchem.7b01288 | Cystic fibrosis transmembrane conductance regulator | 4 |
| 16580199 | 10.1016/j.bmcl.2006.03.032 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 29148763 | 10.1021/acs.jmedchem.7b01288 | ADMET | 1 |
| 33399458 | 10.1021/acs.jmedchem.0c01796 | Cystic fibrosis transmembrane conductance regulator | 1 |
| 38194776 | 10.1016/j.ejmech.2023.116120 | Cystic fibrosis transmembrane conductance regulator | 1 |
Data from ChEMBL 36 via Core Engine