Compound Detail
CHEMBL321591
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Basic Information
| ChEMBL ID | CHEMBL321591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKYUOPQSBVIWPC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
3.19
ALogP
7
HBA
1
HBD
74.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.01 | 7.01 | 98.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 2.5 | nM | 8.6 | Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tiss... | 1683407 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 4.5 | nM | 8.35 | Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cort... | 1683407 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 98.7 | nM | 7.01 | Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampa... | 1683407 |
| D(2) dopamine receptor | IC50 | = | 150.0 | nM | 6.82 | Binding affinity against dopamine receptor D2 in rat corpus striatal tissue usin... | 1683407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1683407 | 10.1021/jm00115a024 | D(2) dopamine receptor | 1 |
| 1683407 | 10.1021/jm00115a024 | 5-hydroxytryptamine receptor 1A | 1 |
| 1683407 | 10.1021/jm00115a024 | 5-hydroxytryptamine receptor 2A | 1 |
| 1683407 | 10.1021/jm00115a024 | Adrenergic receptor alpha-1 | 1 |
| 1683407 | 10.1021/jm00115a024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine