Compound Detail
CHEMBL104102
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Basic Information
| ChEMBL ID | CHEMBL104102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQVQBSXATXKAAM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
3.78
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]mesulergine from A9 cells stably expressing rat 5-hydroxytry... | 10956215 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]ketanserin from NIH3T3 cells stably expressing rat 5-hydroxy... | 10956215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956215 | 10.1021/jm9906062 | 5-hydroxytryptamine receptor 2A | 1 |
| 10956215 | 10.1021/jm9906062 | 5-hydroxytryptamine receptor 2C | 1 |
| 10956215 | 10.1021/jm9906062 | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
Data from ChEMBL 36 via Core Engine