Compound Detail
CHEMBL428892
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Basic Information
| ChEMBL ID | CHEMBL428892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLJFTICUTYVZDG-SFHVURJKSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
356.6
MW (Da)
4.40
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.2
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 9.0 | 9.0 | 1.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.02 | 7.02 | 95.5 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.0 | nM | 9.0 | Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 r... | 14667218 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.0 | nM | 9.0 | Binding affinity towards 5-hydroxytryptamine 7 receptor | 10843226 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.0 | nM | 9.0 | Binding affinity towards rat 5-HT7 receptor expressed in HEK cells | 15481983 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 6.31 | nM | 8.2 | Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortex us... | 3373482 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 95.5 | nM | 7.02 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex u... | 3373482 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 181.97 | nM | 6.74 | Binding affinity towards 5-HT1B receptor in rat brain membrane using [3H]8-OH-DP... | 3373482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481983 | 10.1021/jm049743b | 5-hydroxytryptamine receptor 7 | 2 |
| 15481983 | 10.1021/jm049743b | No relevant target | 2 |
| 3373482 | 10.1021/jm00401a007 | 5-hydroxytryptamine receptor 1A | 1 |
| 3373482 | 10.1021/jm00401a007 | 5-hydroxytryptamine receptor 1B | 1 |
| 3373482 | 10.1021/jm00401a007 | Serotonin 2 (5-HT2) receptor | 1 |
| 14667218 | 10.1021/jm030841r | 5-hydroxytryptamine receptor 7 | 1 |
| 10843226 | 10.1016/s0960-894x(00)00166-9 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine