Compound Detail
CHEMBL2017986
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Basic Information
| ChEMBL ID | CHEMBL2017986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUVCOWVEFWUSRC-RGMNGODLSA-N |
| Parent Compound | CHEMBL2021705 |
| Active Moiety | CHEMBL2021705 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
0.12
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8090.0 | nM | 5.09 | Blockade of human ENaC expressed in HBE cells by short-circuit current assay | 22425452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22425452 | 10.1016/j.bmcl.2012.02.067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine