Compound Detail
CHEMBL3957275
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Basic Information
| ChEMBL ID | CHEMBL3957275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UELISXYRBFANME-OVEYAIEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.84
ALogP
2
HBA
2
HBD
76.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 2 CHEMBL3133 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 2 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of human NHE2 expressed in chinese hamster LAP1 cells assessed as red... | - |
| Sodium/hydrogen exchanger 1 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human NHE1 expressed in chinese hamster LAP1 cells assessed as red... | - |
Data from ChEMBL 36 via Core Engine