Compound Detail
CHEMBL297784
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Basic Information
| ChEMBL ID | CHEMBL297784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJQORSLQNXDVGE-UHFFFAOYSA-N |
12
Targets
29
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
3.17
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 21 meas. best 8.55
IC50 4 meas. best 8.03
EC50 2 meas. best 7.89
Kd 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.55 | 8.0875 | 2.8 | 4 |
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 8.5 | 8.49 | 3.2 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.37 | 7.7967 | 4.3 | 9 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL3006 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.37 | 6.37 | 426.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.79 | 5.745 | 1621.8 | 4 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 24365159 | 10.1016/j.bmcl.2013.12.024 | 5-hydroxytryptamine receptor 2B | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 9357513 | 10.1021/jm970424c | Serotonin receptor (2b and 2c) | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 4 | 1 |
| 7629791 | 10.1021/jm00014a004 | Serotonin 3 (5-HT3) receptor | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 1D | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 1A | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2B | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2C | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2A | 1 |
| 25728001 | 10.1002/anie.201412154 | 5-hydroxytryptamine receptor 2B | 1 |
| 9357513 | 10.1021/jm970424c | Cytochrome P450 3A4 | 1 |
| 9357513 | 10.1021/jm970424c | Cytochrome P450 2D6 | 1 |
| 9357513 | 10.1021/jm970424c | Aromatase | 1 |
| 9357513 | 10.1021/jm970424c | Cytochrome P450 2C9 | 1 |
| 9357513 | 10.1021/jm970424c | Cytochrome P450 1A2 | 1 |
| 9357513 | 10.1021/jm970424c | Rattus norvegicus | 1 |
| 9357513 | 10.1021/jm970424c | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine