Compound Detail
CHEMBL4159138
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COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])CC1
Basic Information
| ChEMBL ID | CHEMBL4159138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMXBPUOBUMKCJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
792.3
MW (Da)
2.29
ALogP
15
HBA
3
HBD
228.5
PSA (Ų)
0.02
QED
2
Ro5 Violations
33
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 6.92 | 6.92 | 121.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 121.0 | nM | 6.92 | Displacement of [3H]GR113808 from serotonin 5-HT4 receptor in Dunkin-Hartley gui... | 30108781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108781 | 10.1039/C6MD00458J | 5-hydroxytryptamine receptor 4 | 3 |
Data from ChEMBL 36 via Core Engine