Compound Detail
CHEMBL466311
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Basic Information
| ChEMBL ID | CHEMBL466311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUXUBPXAMABMBB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
297.8
MW (Da)
0.12
ALogP
5
HBA
3
HBD
136.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2577 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Sodium/hydrogen exchanger 5 CHEMBL3058 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of rat NHE1 | - |
| Sodium/hydrogen exchanger 5 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of NHE5 (unknown origin) | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of rat NHE3 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19339181 | 10.1016/j.bmcl.2009.03.029 | Acid-sensing ion channel 3 | 2 |
Data from ChEMBL 36 via Core Engine