Compound Detail
CHEMBL174049
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Basic Information
| ChEMBL ID | CHEMBL174049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROUIKLYEGNFVSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
3.32
ALogP
6
HBA
0
HBD
68.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.18 | 9.18 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.66 | nM | 9.18 | Binding affinity against human 5-hydroxytryptamine 2A receptor | 15993598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993598 | 10.1016/j.bmcl.2005.05.104 | 5-hydroxytryptamine receptor 2A | 2 |
| 15993598 | 10.1016/j.bmcl.2005.05.104 | 5-hydroxytryptamine receptor 2C | 1 |
| 15993598 | 10.1016/j.bmcl.2005.05.104 | D(2) dopamine receptor | 1 |
| 15993598 | 10.1016/j.bmcl.2005.05.104 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine