Compound Detail
CHEMBL94261
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Basic Information
| ChEMBL ID | CHEMBL94261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCFMMDVFGUQTHR-FQEVSTJZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
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 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.0 | 6.9333 | 10.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 10.0 | nM | 8.0 | Binding affinity towards cloned human 5-hydroxytryptamine 7 receptor was determi... | 14667218 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 400.0 | nM | 6.4 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 398.11 | nM | 6.4 | Binding affinity towards 5-hydroxytryptamine 7 receptor (human cloned receptor) ... | 10669560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
| 14667218 | 10.1021/jm030841r | 5-hydroxytryptamine receptor 7 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 7 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1D | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1E | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1F | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2C | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 4 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 6 | 1 |
| 10669560 | 10.1021/jm991151j | Alpha-1B adrenergic receptor | 1 |
| 10669560 | 10.1021/jm991151j | D(2) dopamine receptor | 1 |
| 10669560 | 10.1021/jm991151j | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine