Compound Detail
CHEMBL6024579
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CC[C@H](c1cn(-c2ccccc2)nn1)n1nc(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL6024579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNPGZLJEPQSIRC-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
3.46
ALogP
10
HBA
1
HBD
126.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 7.3 | 7.215 | 50.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 50.3 | nM | 7.3 | FRT Ion Flux Assay of F508del CFTR Potentiation: Fischer rat thyroid (FRT) cell ... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 74.4 | nM | 7.13 | Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial ... | - |
Data from ChEMBL 36 via Core Engine