Compound Detail
CHEMBL91221
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Basic Information
| ChEMBL ID | CHEMBL91221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIWWCFJNCWGLAP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
3.03
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 9.6 | 9.6 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 0.2512 | nM | 9.6 | Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C recepto... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 6.31 | nM | 8.2 | Compound was evaluated for displacement of [3H]ketanserin from human cloned 5-hy... | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 6.31 | nM | 8.2 | Displacement of [3H]-5-5HT from human cloned 5-hydroxytryptamine 2B receptor exp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00503-3 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/S0960-894X(96)00503-3 | 5-hydroxytryptamine receptor 2B | 1 |
| - | 10.1016/S0960-894X(96)00503-3 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine