Compound Detail
CHEMBL319005
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Basic Information
| ChEMBL ID | CHEMBL319005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVVVUTQKKBTPEY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.61
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells | 17317171 |
| D(2) dopamine receptor | Ki | = | 1600.0 | nM | 5.8 | Displacement of [3H]spiperone from dopamine D2 receptor | 17317171 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 35000.0 | nM | 4.46 | Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor | 17317171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709108 | 10.1021/jm960062t | 5-hydroxytryptamine receptor 2B | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | 5-hydroxytryptamine receptor 7 | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Muscarinic acetylcholine receptor M4 | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | D(2) dopamine receptor | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine