Compound Detail
CHEMBL3964147
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CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)CN(CCOCCOCCN(CC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
Basic Information
| ChEMBL ID | CHEMBL3964147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHSODALJUANGIF-QZESFGMVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
2494.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 7.2 | 7.2 | 63.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human NHE3-mediated sodium-dependant hydrogen ion antiport in Opos... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human NHE3 expressed in OK cells assessed as reduction in Na+ depe... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 63.1 | nM | 7.2 | Inhibition of rat NHE3-mediated sodium-dependant hydrogen ion antiport in Opossu... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 63.1 | nM | 7.2 | Inhibition of rat NHE3 expressed in OK cells assessed as reduction in Na+ depend... | - |
Data from ChEMBL 36 via Core Engine