Compound Detail
CHEMBL3746133
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Basic Information
| ChEMBL ID | CHEMBL3746133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJBXDWSNSYTYRP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.7
MW (Da)
2.84
ALogP
8
HBA
0
HBD
51.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 6.7 | 6.7 | 199.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 200.0 | nM | 6.7 | Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells inc... | 26561003 |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 199.53 | nM | 6.7 | Corrector activity at CFTR F508-del mutant (unknown origin) expressed in human C... | 29272749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26561003 | 10.1021/acs.jmedchem.5b00771 | Cystic fibrosis transmembrane conductance regulator | 3 |
| 26561003 | 10.1021/acs.jmedchem.5b00771 | No relevant target | 1 |
| 26561003 | 10.1021/acs.jmedchem.5b00771 | ADMET | 1 |
| 26561003 | 10.1021/acs.jmedchem.5b00771 | Cytochrome P450 3A4 | 1 |
| 29272749 | 10.1016/j.ejmech.2017.12.030 | Cystic fibrosis transmembrane conductance regulator | 1 |
Data from ChEMBL 36 via Core Engine