Compound Detail
CHEMBL4172346
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCNC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL4172346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTSGSTWZHLDKNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
855.8
MW (Da)
2.75
ALogP
14
HBA
6
HBD
230.3
PSA (Ų)
0.06
QED
3
Ro5 Violations
21
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