Compound Detail
CHEMBL325258
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Basic Information
| ChEMBL ID | CHEMBL325258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQMFUNLNAONENR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.49
ALogP
4
HBA
0
HBD
56.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.07 | 6.07 | 854.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 280.0 | nM | 6.55 | Inhibition of histamine H1 receptor | 11585444 |
| Mu-type opioid receptor | IC50 | = | 800.0 | nM | 6.1 | Binding affinity against mu opiate receptor | 11585444 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 854.0 | nM | 6.07 | Inhibition of human 5-hydroxytryptamine 2A receptor | 11585444 |
| D(4) dopamine receptor | IC50 | = | 1410.0 | nM | 5.85 | Inhibition of human dopamine receptor D4.4 | 11585444 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 1570.0 | nM | 5.8 | Inhibition of human 5-hydroxytryptamine 1A receptor | 11585444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585444 | 10.1021/jm010878g | Mu-type opioid receptor | 1 |
| 11585444 | 10.1021/jm010878g | D(4) dopamine receptor | 1 |
| 11585444 | 10.1021/jm010878g | Histamine H1 receptor | 1 |
| 11585444 | 10.1021/jm010878g | 5-hydroxytryptamine receptor 1A | 1 |
| 11585444 | 10.1021/jm010878g | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine