Compound Detail
CHEMBL1765683
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1765683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVRXOXFSMYJETP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
4.42
ALogP
6
HBA
1
HBD
89.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.21 | 7.21 | 62.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.1 | 6.1 | 798.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.72 | 5.72 | 1890.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.2 | 5.2 | 6280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes | 21428406 |
| Cannabinoid receptor 1 | Ki | = | 62.2 | nM | 7.21 | Displacement of [3H]CP55940 from CB1 receptor | 21428406 |
| Kappa-type opioid receptor | Ki | = | 798.0 | nM | 6.1 | Binding affinity to kappa opioid receptor by radioligand binding assay | 21428406 |
| Cannabinoid receptor 2 | Ki | = | 1890.0 | nM | 5.72 | Displacement of [3H]CP55940 from CB2 receptor | 21428406 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 6280.0 | nM | 5.2 | Binding affinity to 5HT2A receptor by radioligand binding assay | 21428406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 1D | 2 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 2A | 2 |
| 21428406 | 10.1021/jm2000536 | Unchecked | 2 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 6 | 1 |
| 21428406 | 10.1021/jm2000536 | D(1B) dopamine receptor | 1 |
| 21428406 | 10.1021/jm2000536 | D(1A) dopamine receptor | 1 |
| 21428406 | 10.1021/jm2000536 | Beta-3 adrenergic receptor | 1 |
| 21428406 | 10.1021/jm2000536 | Beta-1 adrenergic receptor | 1 |
| 21428406 | 10.1021/jm2000536 | Alpha-2C adrenergic receptor | 1 |
| 21428406 | 10.1021/jm2000536 | Alpha-2B adrenergic receptor | 1 |
| 21428406 | 10.1021/jm2000536 | Alpha-2A adrenergic receptor | 1 |
| 21428406 | 10.1021/jm2000536 | Alpha-1B adrenergic receptor | 1 |
| 21428406 | 10.1021/jm2000536 | Alpha-1A adrenergic receptor | 1 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 7 | 1 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 5A | 1 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 3A | 1 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 2C | 1 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 2B | 1 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 1E | 1 |
| 21428406 | 10.1021/jm2000536 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine