Compound Detail
CHEMBL81813
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Basic Information
| ChEMBL ID | CHEMBL81813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXYZYKRBNAHRIG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
4.13
ALogP
6
HBA
1
HBD
78.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 7.0 | nM | 8.15 | The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptam... | 1908521 |
| D(2) dopamine receptor | IC50 | = | 46.0 | nM | 7.34 | The concentration required to inhibit [3H]spiperone binding to dopamine receptor... | 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