Compound Detail
CHEMBL329383
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Basic Information
| ChEMBL ID | CHEMBL329383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLWHAZZXRHTFJE-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
3
PK Parameters
20
Publications
0
Known Names
Molecular Properties
523.2
MW (Da)
3.57
ALogP
5
HBA
2
HBD
70.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.59 | 8.5243 | 2.6 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 130.0 | uM min uM-1 | Rattus norvegicus |
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 65.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 2.6 | nM | 8.59 | Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells | 24850589 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.0 | nM | 8.52 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.0 | nM | 8.52 | Binding affinity towards [3H]LSD-labeled human 5-hydroxytryptamine 6 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.0 | nM | 8.52 | Binding affinity against 5 Hydroxy tryptamine 6 receptor | 15745826 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HEK293 cell... | 18053713 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.162 | nM | 8.5 | Binding affinity against human 5-hydroxytryptamine 6 receptor | 11140733 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.162 | nM | 8.5 | Binding affinity for human 5-hydroxytryptamine 6 receptor | 15974573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140733 | 10.1016/s0960-894x(00)00597-7 | Rattus norvegicus | 4 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 2 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 4 | 1 |
| 24850589 | 10.1021/jm5003952 | 5-hydroxytryptamine receptor 6 | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | 5-hydroxytryptamine receptor 6 | 1 |
| 15974573 | 10.1021/jm050247c | 5-hydroxytryptamine receptor 6 | 1 |
| 15745826 | 10.1016/j.bmcl.2005.01.031 | 5-hydroxytryptamine receptor 6 | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | D(3) dopamine receptor | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | D(2) dopamine receptor | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | Alpha-1B adrenergic receptor | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 7 | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 2C | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 2B | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 2A | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 1F | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 1E | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 1D | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 1B | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 1A | 1 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine