Compound Detail
CHEMBL191154
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Basic Information
| ChEMBL ID | CHEMBL191154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUTZYBJUJMETRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
2.13
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.69 | 7.69 | 20.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 20.6 | nM | 7.69 | Binding affinity for 5-HT2A serotonin receptor | 15537358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537358 | 10.1021/jm040082s | 5-hydroxytryptamine receptor 2A | 2 |
Data from ChEMBL 36 via Core Engine