Compound Detail
CHEMBL5811687
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C[C@@H](c1cnn(-c2ccccc2F)c1)c1c(C#N)c(-c2cnc(C(F)F)nc2)c2c(N)ncnn12
Basic Information
| ChEMBL ID | CHEMBL5811687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAMIUHUFHOUXDH-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
4.05
ALogP
9
HBA
1
HBD
123.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 3.87 | nM | 8.41 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
Data from ChEMBL 36 via Core Engine