Compound Detail
CHEMBL3946862
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N=C(N)Nc1nc(-c2cccc(N3CCN(CCOCCOCCOCCNC(=O)NCCOCCOCCNC(=O)CN(CCN(CC(=O)O)CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCOCCN4CCN(c5cccc(-c6nc(NC(=N)N)nc7ccc(Cl)cc67)c5)CC4)CC(=O)O)CC3)c2)c2cc(Cl)ccc2n1
Basic Information
| ChEMBL ID | CHEMBL3946862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDZLBQLMAQMADV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1718.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 8.2 | 8.2 | 6.3 | 2 |
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 7.9 | 7.9 | 12.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 6.31 | nM | 8.2 | Inhibition of human NHE3-mediated sodium-dependant hydrogen ion antiport in Opos... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 6.31 | nM | 8.2 | Inhibition of human NHE3 expressed in OK cells assessed as reduction in Na+ depe... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 12.59 | nM | 7.9 | Inhibition of rat NHE3-mediated sodium-dependant hydrogen ion antiport in Opossu... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 12.59 | nM | 7.9 | Inhibition of rat NHE3 expressed in OK cells assessed as reduction in Na+ depend... | - |
Data from ChEMBL 36 via Core Engine