Compound Detail
CHEMBL19114
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Basic Information
| ChEMBL ID | CHEMBL19114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLRCCKQYIBQABB-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.03
ALogP
3
HBA
2
HBD
82.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.34
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 7.37 | 7.37 | 42.7 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.18 | 6.18 | 660.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 5.77 | 5.77 | 1698.2 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | IC50 | 5.13 | 5.13 | 7413.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 4.571 | nM | 8.34 | In Vitro Binding affinity againist 5-HT1A receptor by displacing [3H]8-OH-DPAT f... | - |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 42.66 | nM | 7.37 | In Vitro Binding affinity againist 5-hydroxytryptamine 1D receptor by displacing... | - |
| Oryctolagus cuniculus | EC50 | = | 158.49 | nM | 6.8 | In Vitro functional activity in rabbit saphenous vein | - |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 660.69 | nM | 6.18 | In Vitro Binding affinity againist 5-hydroxytryptamine 2C receptor by displacing... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 1698.24 | nM | 5.77 | In Vitro Binding affinity againist 5-HT2A receptor by displacing [3H]-DOB from r... | - |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 7413.1 | nM | 5.13 | In Vitro Binding affinity againist 5-hydroxytryptamine 3 receptor by displacing ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80331-0 | Oryctolagus cuniculus | 2 |
| - | 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