Compound Detail
CHEMBL118691
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Basic Information
| ChEMBL ID | CHEMBL118691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXKQJTIEWHWYMT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
3.14
ALogP
6
HBA
0
HBD
45.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 6.77 | 6.77 | 169.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.31 | 6.31 | 493.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 169.0 | nM | 6.77 | Compound was tested for the inhibition of [3H]ketanserin binding to 5-hydroxytry... | 9986703 |
| Adrenergic receptor alpha-1 | IC50 | = | 493.0 | nM | 6.31 | Compound was tested for the inhibition of [3H]-prazosin binding to Alpha-1 adren... | 9986703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986703 | 10.1021/jm970700n | 5-hydroxytryptamine receptor 2A | 2 |
| 9986703 | 10.1021/jm970700n | Adrenergic receptor alpha-1 | 2 |
| 9986703 | 10.1021/jm970700n | Serotonin (5-HT) receptor | 1 |
| 9986703 | 10.1021/jm970700n | D(2) dopamine receptor | 1 |
| 9986703 | 10.1021/jm970700n | Norepinephrine transporter | 1 |
| 9986703 | 10.1021/jm970700n | Histamine H1 receptor | 1 |
| 9986703 | 10.1021/jm970700n | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine