Compound Detail
CHEMBL520449
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Basic Information
| ChEMBL ID | CHEMBL520449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEZJAFWOXYNISY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.2
MW (Da)
3.41
ALogP
3
HBA
1
HBD
48.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.89
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3... | 18467103 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at rat 5HT2A receptor expressed in mouse NIH3T3 cells assessed ... | 18467103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18467103 | 10.1016/j.bmc.2008.04.030 | 5-hydroxytryptamine receptor 2A | 3 |
Data from ChEMBL 36 via Core Engine