Compound Detail
CHEMBL482702
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Basic Information
| ChEMBL ID | CHEMBL482702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDCVVUDZIAVPTI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
2.99
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.59
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 6.59 | 6.59 | 258.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3... | 18467103 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 258.0 | nM | 6.59 | 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