Compound Detail
CHEMBL60322
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Basic Information
| ChEMBL ID | CHEMBL60322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSXHXXWLWSECTR-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.53
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.04
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.59 | 6.59 | 254.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.7 | nM | 8.24 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane | 18603331 |
| Dopamine receptor | IC50 | = | 92.0 | nM | 7.04 | Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striata... | 6131130 |
| Adrenergic receptor alpha-1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebr... | 6131130 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 254.0 | nM | 6.59 | Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane | 18603331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6131130 | 10.1021/jm00356a014 | Dopamine receptor | 1 |
| 6131130 | 10.1021/jm00356a014 | Rattus norvegicus | 1 |
| 6131130 | 10.1021/jm00356a014 | Adrenergic receptor alpha-1 | 1 |
| 18603331 | 10.1016/j.ejmech.2008.05.021 | 5-hydroxytryptamine receptor 1A | 1 |
| 18603331 | 10.1016/j.ejmech.2008.05.021 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine