Compound Detail
CHEMBL363537
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Basic Information
| ChEMBL ID | CHEMBL363537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CINVAGCQZHMSDL-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.14
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.72 | 6.71 | 19.0 | 4 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 0.4 | nM | 9.4 | Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed i... | 15341483 |
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Inhibition of Histamine H1 receptor | 15341483 |
| D(2) dopamine receptor | IC50 | = | 22.0 | nM | 7.66 | Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membrane... | 15341483 |
| Adrenergic receptor alpha-1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Alpha-1 adrenergic receptor | 15341483 |
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | Inhibition of 5-hydroxytryptamine 2A receptor | 15341483 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of 5-hydroxytryptamine 1D receptor | 15341483 |
| Unchecked | IC50 | = | 800.0 | nM | 6.1 | Inhibition of 5-hydroxytryptamine 2C receptor | 15341483 |
| Adrenergic receptor alpha-2 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of Alpha-2 adrenergic receptor | 15341483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341483 | 10.1021/jm040792y | Unchecked | 4 |
| 15341483 | 10.1021/jm040792y | 5-hydroxytryptamine receptor 1A | 1 |
| 15341483 | 10.1021/jm040792y | D(2) dopamine receptor | 1 |
| 15341483 | 10.1021/jm040792y | Adrenergic receptor alpha-1 | 1 |
| 15341483 | 10.1021/jm040792y | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine