Compound Detail
CHEMBL94984
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Basic Information
| ChEMBL ID | CHEMBL94984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCFMMDVFGUQTHR-HXUWFJFHSA-N |
11
Targets
12
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
386.6
MW (Da)
4.11
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.0 | 8.0 | 10.0 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481983 | 10.1021/jm049743b | No relevant target | 2 |
| 15481983 | 10.1021/jm049743b | 5-hydroxytryptamine receptor 7 | 2 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2C | 1 |
| 10669560 | 10.1021/jm991151j | D(3) dopamine receptor | 1 |
| 10669560 | 10.1021/jm991151j | D(2) dopamine receptor | 1 |
| 10669560 | 10.1021/jm991151j | Alpha-1B adrenergic receptor | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 7 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 6 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 4 | 1 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1F | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1E | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1D | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine