Compound Detail
CHEMBL148189
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Basic Information
| ChEMBL ID | CHEMBL148189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABERUOJGWHYBJL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
2.01
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.4
Kd 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.37 | 6.37 | 430.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Kd | 6.28 | 6.28 | 524.8 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 398.11 | nM | 6.4 | Binding affinity towards 5-HT2A receptor of rat tail artery | - |
| Serotonin 2 (5-HT2) receptor | Ki | = | 430.0 | nM | 6.37 | Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanse... | 1479590 |
| 5-hydroxytryptamine receptor 2A | Kd | = | 524.81 | nM | 6.28 | Antagonism of 5-HT2A receptor of rat tail artery | - |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1100.0 | nM | 5.96 | Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesule... | 1479590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00092-8 | 5-hydroxytryptamine receptor 2A | 2 |
| 1479590 | 10.1021/jm00104a017 | Serotonin 2 (5-HT2) receptor | 2 |
| 1479590 | 10.1021/jm00104a017 | 5-hydroxytryptamine receptor 2C | 1 |
| 30295487 | 10.1021/acs.jmedchem.8b01210 | CD209 antigen | 1 |
Data from ChEMBL 36 via Core Engine