Compound Detail
CHEMBL3979252
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CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)N(CCO)CCOCCOCCNC(=O)NCCCN(CCCNC(=O)NCCOCCOCCN(CCO)S(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)CCCNC(=O)NCCOCCOCCN(CCO)S(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
Basic Information
| ChEMBL ID | CHEMBL3979252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDNJBKSNSUVFFL-UCBZISERSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1905.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 8.35 | 8.35 | 4.5 | 3 |
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 7.8 | 7.8 | 15.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 4.467 | nM | 8.35 | Inhibition of human NHE3-mediated sodium-dependant hydrogen ion antiport in Opos... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 4.467 | nM | 8.35 | Inhibition of human NHE3 expressed in OK cells assessed as reduction in Na+ depe... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 4.47 | nM | 8.35 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 15.85 | nM | 7.8 | Inhibition of rat NHE3-mediated sodium-dependant hydrogen ion antiport in Opossu... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 15.85 | nM | 7.8 | Inhibition of rat NHE3 expressed in OK cells assessed as reduction in Na+ depend... | - |
| Unchecked | IC50 | = | 15.8 | nM | 7.8 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
Data from ChEMBL 36 via Core Engine