Compound Detail
CHEMBL88355
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(CCCCN2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL88355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTLDMCSKGVVWBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
607.1
MW (Da)
5.49
ALogP
8
HBA
1
HBD
105.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 59.0 | nM | 7.23 | Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed ... | 12801225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12801225 | 10.1021/jm0307887 | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine