Compound Detail
CHEMBL3965836
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O=C(NCCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3965836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQWRPTGXPCRNNP-YKDOIGRJSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1235.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 8.3 | 7.85 | 5.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 8.25 | 8.1333 | 5.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 5.012 | nM | 8.3 | Inhibition of rat NHE3 expressed in OK cells assessed as reduction in Na+ depend... | - |
| Unchecked | IC50 | = | 5.01 | nM | 8.3 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 5.623 | nM | 8.25 | Inhibition of human NHE3 expressed in OK cells assessed as reduction in Na+ depe... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 5.62 | nM | 8.25 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 12.59 | nM | 7.9 | Inhibition of human NHE3-mediated sodium-dependant hydrogen ion antiport in Opos... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 39.81 | nM | 7.4 | Inhibition of rat NHE3-mediated sodium-dependant hydrogen ion antiport in Opossu... | - |
Data from ChEMBL 36 via Core Engine