Compound Detail
CHEMBL191050
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Basic Information
| ChEMBL ID | CHEMBL191050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCSKDXWCLQXURQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.1
MW (Da)
1.46
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.68 | 8.68 | 2.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.1 | nM | 8.68 | Binding affinity for 5-HT2A serotonin receptor | 15537358 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.1 | nM | 8.68 | Displacement of [125I](+/-)DOI from rat 5HT2A after 1 hr by beta scintillation c... | 28244748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537358 | 10.1021/jm040082s | 5-hydroxytryptamine receptor 2A | 2 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine