Compound Detail
CHEMBL515307
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Basic Information
| ChEMBL ID | CHEMBL515307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSMNKAMHMGKRDL-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
423.0
MW (Da)
3.74
ALogP
6
HBA
1
HBD
66.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
EC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as s... | 19159187 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by li... | 19159187 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 10.0 | nM | 8.0 | Binding affinity to 5HT6 receptor | 19758807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19159187 | 10.1021/jm8009469 | 5-hydroxytryptamine receptor 6 | 4 |
| 19159187 | 10.1021/jm8009469 | Alpha-2A adrenergic receptor | 1 |
| 19159187 | 10.1021/jm8009469 | 5-hydroxytryptamine receptor 1A | 1 |
| 19159187 | 10.1021/jm8009469 | Adrenergic receptor alpha-1 | 1 |
| 19159187 | 10.1021/jm8009469 | 5-hydroxytryptamine receptor 2C | 1 |
| 19159187 | 10.1021/jm8009469 | Sodium-dependent serotonin transporter | 1 |
| 19758807 | 10.1016/j.bmc.2009.08.006 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine