Compound Detail
CHEMBL255127
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
Basic Information
| ChEMBL ID | CHEMBL255127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRACQGSYQITGPK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.41
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.68
Kd 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 9.6 | 9.6 | 0.3 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.52 | 6.52 | 299.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.15 | 6.15 | 702.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 0.2512 | nM | 9.6 | Antagonist activity at human histamine H3 receptor | 18060777 |
| Histamine H3 receptor | Ki | = | 2.1 | nM | 8.68 | Inhibition of human histamine H3 receptor | 18060777 |
| Sodium-dependent serotonin transporter | Ki | = | 299.0 | nM | 6.52 | Inhibition of rat SERT | 18060777 |
| Sodium-dependent serotonin transporter | Ki | = | 702.0 | nM | 6.15 | Inhibition of human SERT | 18060777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18060777 | 10.1016/j.bmcl.2007.11.016 | Histamine H3 receptor | 2 |
| 18060777 | 10.1016/j.bmcl.2007.11.016 | Sodium-dependent serotonin transporter | 2 |
Data from ChEMBL 36 via Core Engine