Compound Detail
CHEMBL2022277
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Basic Information
| ChEMBL ID | CHEMBL2022277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIXGNLVXUHTAKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
5.17
ALogP
5
HBA
1
HBD
49.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.55 | 6.55 | 284.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 284.0 | nM | 6.55 | Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed i... | 22268448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22268448 | 10.1021/jm2013419 | 5-hydroxytryptamine receptor 2A | 1 |
| 22268448 | 10.1021/jm2013419 | No relevant target | 1 |
| 22268448 | 10.1021/jm2013419 | D(4) dopamine receptor | 1 |
| 22268448 | 10.1021/jm2013419 | 5-hydroxytryptamine receptor 1A | 1 |
| 22268448 | 10.1021/jm2013419 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine