Compound Detail
CHEMBL326538
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Basic Information
| ChEMBL ID | CHEMBL326538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXLMYIVPJMIMFS-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.54
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.19 | 6.19 | 652.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.74 | 5.74 | 1810.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.53 | 5.53 | 2940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | IC50 | = | 652.0 | nM | 6.19 | Inhibition of human 5-hydroxytryptamine 2C receptor | 11585444 |
| Adenosine receptor A3 | IC50 | = | 1510.0 | nM | 5.82 | Inhibition of human adenosine A3 receptor | 11585444 |
| Kappa-type opioid receptor | IC50 | = | 1810.0 | nM | 5.74 | Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligan... | 11585443 |
| Kappa-type opioid receptor | IC50 | = | 1810.0 | nM | 5.74 | Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioli... | 11585444 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 2080.0 | nM | 5.68 | Inhibition of human 5-hydroxytryptamine 1A receptor | 11585444 |
| Sodium-dependent dopamine transporter | IC50 | = | 2940.0 | nM | 5.53 | Binding affinity against dopamine transporter | 11585444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585443 | 10.1021/jm010877o | No relevant target | 2 |
| 11585443 | 10.1021/jm010877o | Mu-type opioid receptor | 1 |
| 11585443 | 10.1021/jm010877o | Kappa-type opioid receptor | 1 |
| 11585443 | 10.1021/jm010877o | Delta-type opioid receptor | 1 |
| 11585444 | 10.1021/jm010878g | 5-hydroxytryptamine receptor 2C | 1 |
| 11585444 | 10.1021/jm010878g | Kappa-type opioid receptor | 1 |
| 11585444 | 10.1021/jm010878g | Adenosine receptor A3 | 1 |
| 11585444 | 10.1021/jm010878g | Sodium-dependent dopamine transporter | 1 |
| 11585444 | 10.1021/jm010878g | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine