Compound Detail
CHEMBL18928
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Basic Information
| ChEMBL ID | CHEMBL18928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPQJBCKTOCWAQJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
0.61
ALogP
3
HBA
2
HBD
78.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 7.14 | 7.14 | 72.4 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 6.11 | 6.11 | 776.2 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | IC50 | 5.37 | 5.37 | 4265.8 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.09 | 5.09 | 8128.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 72.44 | nM | 7.14 | In Vitro Binding affinity againist 5-HT1A receptor by displacing [3H]8-OH-DPAT f... | - |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 776.25 | nM | 6.11 | In Vitro Binding affinity againist 5-hydroxytryptamine 1D receptor by displacing... | - |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 4265.8 | nM | 5.37 | In Vitro Binding affinity againist 5-hydroxytryptamine 3 receptor by displacing ... | - |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 8128.31 | nM | 5.09 | In Vitro Binding affinity againist 5-hydroxytryptamine 2C receptor by displacing... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80331-0 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(01)80331-0 | 5-hydroxytryptamine receptor 1D | 1 |
| - | 10.1016/S0960-894X(01)80331-0 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/S0960-894X(01)80331-0 | 5-hydroxytryptamine receptor 2C | 1 |
| - | 10.1016/S0960-894X(01)80331-0 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine