Compound Detail
CHEMBL247669
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Basic Information
| ChEMBL ID | CHEMBL247669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQWSBUJEGUSBFA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
5.12
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.71
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 13.0 | nM | 7.89 | Displacement of N-[3H]alpha-methylhistamine from human histamine H3 receptor exp... | 17307358 |
| Sodium-dependent serotonin transporter | Ki | = | 18.0 | nM | 7.75 | Binding affinity to rat SERT | 17307358 |
| Sodium-dependent serotonin transporter | Ki | = | 37.0 | nM | 7.43 | Binding affinity to human SERT | 17307358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17307358 | 10.1016/j.bmcl.2007.02.006 | Sodium-dependent serotonin transporter | 2 |
| 17307358 | 10.1016/j.bmcl.2007.02.006 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine