Compound Detail
CHEMBL81377
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Basic Information
| ChEMBL ID | CHEMBL81377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQAZWKSHGLDNPG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
5.41
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.9
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 12.59 | nM | 7.9 | Compound was evaluated for its inverse agonist activity against 5-hydroxytryptam... | 11078195 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 20.0 | nM | 7.7 | Compound was evaluated for its binding against 5-hydroxytryptamine 2A receptor | 11078195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11078195 | 10.1016/s0960-894x(00)00483-2 | 5-hydroxytryptamine receptor 2A | 2 |
Data from ChEMBL 36 via Core Engine