Compound Detail
CHEMBL1095274
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Basic Information
| ChEMBL ID | CHEMBL1095274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFLUHLCPXQWQKW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1199079 |
| Active Moiety | CHEMBL1199079 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.00
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Ki 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 5.7 | nM | 8.24 | Binding affinity to human recombinant 5HT6 receptor by radioligand displacement ... | 19939513 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 78.0 | nM | 7.11 | Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells... | 19939513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 6 | 4 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 1A | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 2B | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 2C | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | 5-hydroxytryptamine receptor 7 | 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 | Alpha-2A adrenergic receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Alpha-1A adrenergic receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Sodium-dependent dopamine transporter | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Sodium-dependent noradrenaline transporter | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | D(3) dopamine receptor | 1 |
| 19939513 | 10.1016/j.ejmech.2009.10.035 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine