Compound Detail
CHEMBL2096711
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Basic Information
| ChEMBL ID | CHEMBL2096711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NITMFLAGDPNBNV-ONGXEEELSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
1.41
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.37 | 6.37 | 430.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 180.0 | nM | 6.75 | Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]5-HT ra... | 15975787 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 430.0 | nM | 6.37 | Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]DOI r... | 15975787 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 2600.0 | nM | 5.58 | Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]5-HT ra... | 15975787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15975787 | 10.1016/j.bmcl.2005.05.074 | 5-hydroxytryptamine receptor 2C | 2 |
| 15975787 | 10.1016/j.bmcl.2005.05.074 | 5-hydroxytryptamine receptor 2A | 1 |
| 15975787 | 10.1016/j.bmcl.2005.05.074 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine