Compound Detail
CHEMBL354137
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Basic Information
| ChEMBL ID | CHEMBL354137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWCQUYVBQAFFPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.53
ALogP
4
HBA
3
HBD
96.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Sodium/hydrogen exchanger 2 CHEMBL3133 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 160.0 | nM | 6.8 | In vitro concentration required to inhibit NHE-1 mediated intracellular maximal ... | 11277524 |
| Sodium/hydrogen exchanger 2 | IC50 | = | 16300.0 | nM | 4.79 | In vitro concentration of compound required to inhibit NHE-2 mediated intracellu... | 11277524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277524 | 10.1016/s0960-894x(01)00059-2 | Sodium/hydrogen exchanger 1 | 1 |
| 11277524 | 10.1016/s0960-894x(01)00059-2 | Sodium/hydrogen exchanger 2 | 1 |
| 11277524 | 10.1016/s0960-894x(01)00059-2 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine