Compound Detail
CHEMBL3897147
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CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CC[N+](C)(C)C
Basic Information
| ChEMBL ID | CHEMBL3897147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQHLTFVTCGVZLA-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
5.78
ALogP
4
HBA
1
HBD
52.5
PSA (Ų)
0.42
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 7.42 | 7.42 | 38.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 38.1 | nM | 7.42 | Correction activity at CFTR F508 deletion mutant (unknown origin) expressed in m... | - |
Data from ChEMBL 36 via Core Engine