Compound Detail
CHEMBL5569065
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Basic Information
| ChEMBL ID | CHEMBL5569065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIQILROYDQMRBR-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.65
ALogP
5
HBA
1
HBD
62.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| 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 2A CHEMBL224 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.89 | nM | 9.05 | Displacement of [3H]ketanserin from human 5-HT2A receptor transfected in Jump-In... | 39137033 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]ketanserin from human 5-HT2C receptor transfected in Jump-In... | 39137033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39137033 | 10.1021/acs.jmedchem.4c01244 | ADMET | 2 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | No relevant target | 1 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | 5-hydroxytryptamine receptor 2A | 1 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | 5-hydroxytryptamine receptor 2C | 1 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine