Compound Detail
CHEMBL96729
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Basic Information
| ChEMBL ID | CHEMBL96729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYMDQHOPDGWGOY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
1.18
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.02 | 6.02 | 950.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.3 | 5.3 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 950.0 | nM | 6.02 | Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2600.0 | nM | 5.58 | Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated usin... | 12825922 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 5000.0 | nM | 5.3 | Binding affinity towards human 5-hydroxytryptamine 5A receptor | 12825922 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 5000.0 | nM | 5.3 | Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated usi... | 12825922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 5A | 2 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine