Compound Detail
CHEMBL397166
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Basic Information
| ChEMBL ID | CHEMBL397166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMSUJVPMNJMGJF-MRVPVSSYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
1.80
ALogP
6
HBA
1
HBD
83.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.09
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 5.09 | 5.09 | 8192.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 910.0 | nM | 6.04 | Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex | 17419053 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 8192.0 | nM | 5.09 | Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular c... | 17419053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17419053 | 10.1016/j.bmcl.2007.03.073 | 5-hydroxytryptamine receptor 2A | 3 |
Data from ChEMBL 36 via Core Engine