Compound Detail
CHEMBL212432
552-02 FREE BASE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL212432 |
| Name | 552-02 FREE BASE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NTRKMGDUWYBLMS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
451.9
MW (Da)
0.09
ALogP
8
HBA
6
HBD
195.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.55 | 2.0 | 2 |
| Amiloride-sensitive sodium channel subunit alpha CHEMBL1791 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Blockade of human ENaC expressed in HBE cells by short-circuit current assay | 22425452 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Blockade of guinea pig ENaC expressed in FRT cells by short-circuit current assa... | 22425452 |
| Amiloride-sensitive sodium channel subunit alpha | IC50 | = | 8.0 | nM | 8.1 | Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysi... | 16821771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 22425452 | 10.1016/j.bmcl.2012.02.067 | Unchecked | 2 |
| 16821771 | 10.1021/jm051134w | Epithelial cell | 1 |
| 16821771 | 10.1021/jm051134w | Amiloride-sensitive sodium channel subunit alpha | 1 |
| 22425452 | 10.1016/j.bmcl.2012.02.067 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine