Compound Detail
CHEMBL1099284
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Basic Information
| ChEMBL ID | CHEMBL1099284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEEDRVGVQYVFHX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1199172 |
| Active Moiety | CHEMBL1199172 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.10
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.68
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 2.1 | nM | 8.68 | Binding affinity to human recombinant 5HT6 receptor by radioligand displacement ... | 19939513 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 7.0 | nM | 8.15 | Binding affinity to 5HT1A receptor by radioligand displacement assay | 19939513 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 15.0 | nM | 7.82 | Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells... | 19939513 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 39.0 | nM | 7.41 | Binding affinity to 5HT2C receptor by radioligand displacement assay | 19939513 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 42.0 | nM | 7.38 | Binding affinity to 5HT7 receptor by radioligand displacement assay | 19939513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 6 | 5 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 1A | 3 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 2C | 3 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 7 | 3 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Unchecked | 2 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 2A | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 2B | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Alpha-2A adrenergic receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Alpha-1A adrenergic receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Alpha-1B adrenergic receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Alpha-1D adrenergic receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | D(3) dopamine receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine