Compound Detail
CHEMBL2181168
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Basic Information
| ChEMBL ID | CHEMBL2181168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIAZRDQNRJRCRQ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
4.89
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.47 | 6.47 | 341.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.99 | 5.99 | 1018.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.74 | 5.74 | 1825.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.25 | 5.25 | 5629.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.26 | nM | 9.59 | Displacement of radioligand from human 5HT4R by Cerep protocol based assay | 23102207 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 4.6 | nM | 8.34 | Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes | 23102207 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 341.0 | nM | 6.47 | Binding affinity to human 5HT2C by Cerep protocol based assay | 23102207 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1018.0 | nM | 5.99 | Binding affinity to human 5HT7 by Cerep protocol based assay | 23102207 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1825.0 | nM | 5.74 | Binding affinity to human 5HT2A by Cerep protocol based assay | 23102207 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 5629.0 | nM | 5.25 | Binding affinity to human 5HT1A by Cerep protocol based assay | 23102207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 4 | 6 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 6 | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 5A | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 3A | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 2B | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 1E | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 1D | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 1B | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 1A | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 2A | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 7 | 1 |
| 23102207 | 10.1021/jm300943r | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine