Compound Detail
CHEMBL18710
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Basic Information
| ChEMBL ID | CHEMBL18710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMCQQCPVMMLQSS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
1.64
ALogP
3
HBA
1
HBD
59.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 6.82 | 6.82 | 151.4 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 5.47 | 5.47 | 3388.4 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.38 | 5.38 | 4168.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 9.12 | nM | 8.04 | In Vitro Binding affinity againist 5-HT1A receptor by displacing [3H]8-OH-DPAT f... | - |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 151.36 | nM | 6.82 | In Vitro Binding affinity againist 5-hydroxytryptamine 1D receptor by displacing... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 3388.44 | nM | 5.47 | In Vitro Binding affinity againist 5-HT2A receptor by displacing [3H]-DOB from r... | - |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 3981.07 | nM | 5.4 | In Vitro Binding affinity againist 5-hydroxytryptamine 3 receptor by displacing ... | - |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 4168.69 | nM | 5.38 | 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