Compound Detail
CHEMBL304636
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Basic Information
| ChEMBL ID | CHEMBL304636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGSDPWBXHNULLD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
3.38
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 0.9 | nM | 9.05 | Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydrox... | 12113827 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1.8 | nM | 8.74 | Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydrox... | 12113827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine