Compound Detail
CHEMBL3951502
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O=C(NCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1)c1cccc(C(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@H]3c4ccccc4C[C@@H]3N3CCCCC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL3951502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXWUWTOCIKJZKF-FFWKYUIQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1137.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 8.1 | 8.1 | 7.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of human NHE3-mediated sodium-dependant hydrogen ion antiport in Opos... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of human NHE3 expressed in OK cells assessed as reduction in Na+ depe... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 7.94 | nM | 8.1 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
Data from ChEMBL 36 via Core Engine