Compound Detail
CHEMBL77701
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Basic Information
| ChEMBL ID | CHEMBL77701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVGKTMDQLDJGTD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.10
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.85 | 7.54 | 14.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.35 | 7.16 | 45.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 14.0 | nM | 7.85 | Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI radioli... | 12824036 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 45.0 | nM | 7.35 | Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI radioli... | 12824036 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 59.0 | nM | 7.23 | Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI radioli... | 12824036 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 107.0 | nM | 6.97 | Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI radioli... | 12824036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12824036 | 10.1016/s0960-894x(03)00403-7 | 5-hydroxytryptamine receptor 2C | 2 |
| 12824036 | 10.1016/s0960-894x(03)00403-7 | 5-hydroxytryptamine receptor 2A | 2 |
| 12824036 | 10.1016/s0960-894x(03)00403-7 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 2 |
Data from ChEMBL 36 via Core Engine