Compound Detail
CHEMBL4162531
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COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCNC(=O)NCC(=O)OCc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4162531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVZZKOBMLGFVSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
693.2
MW (Da)
1.93
ALogP
11
HBA
5
HBD
191.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 4.0 | nM | 8.4 | 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