Compound Detail
CHEMBL110802
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Basic Information
| ChEMBL ID | CHEMBL110802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNSCYTVKHDKQOO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.57
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.62 | 6.575 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 70.0 | nM | 7.16 | Binding affinity against rat 5-hydroxytryptamine 2C receptor using [3H]mesulergi... | 11563927 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 240.0 | nM | 6.62 | Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]DOB as ra... | 11563927 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 295.0 | nM | 6.53 | Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]ketanseri... | 11563927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563927 | 10.1021/jm0100739 | 5-hydroxytryptamine receptor 2A | 2 |
| 11563927 | 10.1021/jm0100739 | 5-hydroxytryptamine receptor 2C | 1 |
| 11563927 | 10.1021/jm0100739 | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
Data from ChEMBL 36 via Core Engine