Compound Detail
CHEMBL3889736
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CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
Basic Information
| ChEMBL ID | CHEMBL3889736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNHPDWGIXIMXSA-NDOUMJCMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1145.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 7.3 | 6.45 | 50.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 6.45 | 50.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.1 | nM | 7.3 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 50.1 | nM | 7.3 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
| Unchecked | IC50 | = | 2512.0 | nM | 5.6 | Cell-Based Assay of NHE3 Activity under Persistent Conditions: The ability of co... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 2512.0 | nM | 5.6 | Cell-Based Assay of NHE3 Activity under Persistent Conditions: The ability of co... | - |
Data from ChEMBL 36 via Core Engine