Compound Detail
CHEMBL314055
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Basic Information
| ChEMBL ID | CHEMBL314055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSWCYJDXBLJOMH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
4.50
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.29 | 6.29 | 512.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.29 | 6.29 | 513.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.08 | 6.08 | 831.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 6.457 | nM | 8.19 | Ability to displace the radioligand [3H]5-carboxyamidotryptamine ([3H]5-CT) from... | 12182857 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 6.46 | nM | 8.19 | Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptor | 15267230 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 512.86 | nM | 6.29 | Ability to displace the radioligand [3H]-8-OH-DPAT from human 5-hydroxytryptamin... | 12182857 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 513.0 | nM | 6.29 | Inhibition of [3H]8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor | 15267230 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 831.76 | nM | 6.08 | Ability to displace the radioligand [3H]5-carboximidotryptamine ([3H]-ketanserin... | 12182857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267230 | 10.1021/jm0498102 | 5-hydroxytryptamine receptor 7 | 2 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 7 | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | Serotonin 2 (5-HT2) receptor | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 1A | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 1B | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 2A | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | Serotonin 3 receptor (5HT3) | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 4 | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 6 | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | HEK293 | 1 |
| 15267230 | 10.1021/jm0498102 | 5-hydroxytryptamine receptor 1A | 1 |
| 15267230 | 10.1021/jm0498102 | D(2) dopamine receptor | 1 |
| 15267230 | 10.1021/jm0498102 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine