Compound Detail
CHEMBL3939463
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CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)c3cccc(C(=O)NCCOCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)c3)c2)C1
Basic Information
| ChEMBL ID | CHEMBL3939463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLEMJJHXUPBWJJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1223.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 316.0 | 1 |
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 4.088 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 316.0 | nM | 6.5 | Cell-Based Assay of NHE-3 Activity: Rat NHE-3-mediated Na+-dependent H+ antiport... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of rat NHE-3-mediated Na+ dependent H+ antiport expressed in opossum ... | - |
Data from ChEMBL 36 via Core Engine