Compound Detail
CHEMBL3979390
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CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2n1C[C@@H](O)CO
Basic Information
| ChEMBL ID | CHEMBL3979390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRHHCFRIWCPKDX-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.37
ALogP
6
HBA
5
HBD
115.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 1810.0 | nM | 5.74 | Correction activity at CFTR F508 deletion mutant (unknown origin) expressed in m... | - |
Data from ChEMBL 36 via Core Engine