Compound Detail
CHEMBL293399
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Basic Information
| ChEMBL ID | CHEMBL293399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFFJUEYUTHKVMQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
1.90
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.31 | 6.885 | 49.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 49.0 | nM | 7.31 | Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydrox... | 12113827 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 50.0 | nM | 7.3 | Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydrox... | 12113827 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 351.0 | nM | 6.46 | Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain b... | 18296055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18296055 | 10.1016/j.bmc.2008.02.033 | 5-hydroxytryptamine receptor 2A | 2 |
| 12113827 | 10.1016/s0960-894x(02)00306-2 | 5-hydroxytryptamine receptor 2A | 1 |
| 12113827 | 10.1016/s0960-894x(02)00306-2 | 5-hydroxytryptamine receptor 2C | 1 |
| 9748359 | 10.1021/jm980144c | Homo sapiens | 1 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine