Compound Detail
CHEMBL237862
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Basic Information
| ChEMBL ID | CHEMBL237862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCIGGFFPBMFKPO-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.7
MW (Da)
6.16
ALogP
5
HBA
0
HBD
28.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.64
Kd 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.64 | 8.365 | 2.3 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Histamine H3 receptor CHEMBL264 | Kd | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 2.3 | nM | 8.64 | Binding affinity at human SERT | 17765543 |
| Sodium-dependent serotonin transporter | Ki | = | 4.5 | nM | 8.35 | Binding affinity at rat SERT | 17765543 |
| Sodium-dependent serotonin transporter | Ki | = | 8.2 | nM | 8.09 | Binding affinity at human histamine H3 | 17765543 |
| Histamine H3 receptor | Kd | = | 19.95 | nM | 7.7 | Antagonistic activity at H3 receptor expressed in SK-NM-C cells assessed as fors... | 17765543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17765543 | 10.1016/j.bmcl.2007.08.017 | Sodium-dependent serotonin transporter | 3 |
| 17765543 | 10.1016/j.bmcl.2007.08.017 | Mus musculus | 2 |
| 17765543 | 10.1016/j.bmcl.2007.08.017 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine