Compound Detail
CHEMBL211301
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Basic Information
| ChEMBL ID | CHEMBL211301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFTIZGHFDCOQFS-MRVPVSSYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.70
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 1120.0 | nM | 5.95 | Displacement of [125I]DOI from rat 5HT2A receptor | 16821786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821786 | 10.1021/jm060272y | 5-hydroxytryptamine receptor 2A | 3 |
| 16821786 | 10.1021/jm060272y | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine