Compound Detail
CHEMBL79420
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Basic Information
| ChEMBL ID | CHEMBL79420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUEYTZFYYVEBDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.57
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 25.0 | nM | 7.6 | The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptam... | 1908521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1908521 | 10.1021/jm00112a025 | Serotonin 2 (5-HT2) receptor | 1 |
| 1908521 | 10.1021/jm00112a025 | Adrenergic receptor alpha-1 | 1 |
| 1908521 | 10.1021/jm00112a025 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine