Compound Detail
CHEMBL124818
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Basic Information
| ChEMBL ID | CHEMBL124818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOVXXZPVUNBMAR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.17
ALogP
3
HBA
2
HBD
46.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.11
EC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.5 | 7.5 | 31.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 7.7 | nM | 8.11 | Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labe... | 15239661 |
| Sodium-dependent serotonin transporter | Ki | = | 31.5 | nM | 7.5 | Binding affinity against serotonin transporter in rat cortical tissues using rad... | 15239661 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 44.0 | nM | 7.36 | Effective concentration against binding of radioligand [35S]GTP-gamma-S in CHO c... | 15239661 |
| Adrenergic receptor alpha-1 | Ki | = | 100.0 | nM | 7.0 | Binding affinity against rat cortical alpha-1 adrenergic receptor labeled with [... | 15239661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239661 | 10.1021/jm0304010 | 5-hydroxytryptamine receptor 1A | 5 |
| 15239661 | 10.1021/jm0304010 | Sodium-dependent serotonin transporter | 2 |
| 15239661 | 10.1021/jm0304010 | Adrenergic receptor alpha-1 | 2 |
Data from ChEMBL 36 via Core Engine