Compound Detail
CHEMBL309750
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Basic Information
| ChEMBL ID | CHEMBL309750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGGWYWMTWPTIQS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
376.3
MW (Da)
3.96
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.52 | 8.52 | 3.0 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.39 | 5.39 | 4066.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.0 | nM | 8.52 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.0 | nM | 8.52 | Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells us... | 12161155 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 4066.0 | nM | 5.39 | Compound was tested for its binding affinity towards 5-hydroxytryptamine 6 recep... | 12161155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 7 | 2 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 1A | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 1B | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 1D | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 1F | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 2A | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 2C | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 6 | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | D(1A) dopamine receptor | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | D(2) dopamine receptor | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | D(3) dopamine receptor | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | D(4) dopamine receptor | 1 |
| 12161155 | 10.1016/s0960-894x(02)00438-9 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine