Compound Detail
CHEMBL39417
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Basic Information
| ChEMBL ID | CHEMBL39417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVWYMOYTOXXDBN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.75
ALogP
3
HBA
1
HBD
26.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.52 | 6.26 | 300.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.7 | 5.7 | 1990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 300.0 | nM | 6.52 | Displacement of [3H]DOB from human 5-hydroxytryptamine 2A receptor | 11755343 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor | 11755343 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1990.0 | nM | 5.7 | Binding affinity towards human 5-hydroxytryptamine 2C receptor. | 11755343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2A | 2 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2C | 1 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine