Compound Detail
CHEMBL2113160
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COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCCCCCCNc2nc(NCCCCCCCCCCC(=O)NC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)nc(NCc3ccccc3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL2113160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKJCPQRUAZZALF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1204.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 6.95 | 6.95 | 113.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 113.0 | nM | 6.95 | Binding affinity for 5-HT4 receptor using [3H]GR-113808 | 16190749 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 113.0 | nM | 6.95 | Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells | 17676726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17676726 | 10.1021/jm070552t | 5-hydroxytryptamine receptor 4 | 3 |
| 16190749 | 10.1021/jm050234z | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine