Compound Detail
CHEMBL366679
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Basic Information
| ChEMBL ID | CHEMBL366679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWZRVLJEYRUNHW-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.29
ALogP
4
HBA
0
HBD
11.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.57 | 8.25 | 2.7 | 3 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.07 | 8.07 | 8.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.35 | nM | 9.46 | In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue ... | 14695828 |
| D(3) dopamine receptor | Ki | = | 2.7 | nM | 8.57 | In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes usi... | 14695828 |
| Unchecked | Ki | = | 2.692 | nM | 8.57 | Binding affinity of compound towards dopamine receptor D3 was determined | 15808487 |
| D(1A) dopamine receptor | Ki | = | 7.7 | nM | 8.11 | In vitro binding affinity towards Dopamine receptor D1 in rat tissue homogenate ... | 14695828 |
| Unchecked | Ki | = | 7.762 | nM | 8.11 | Binding affinity of compound towards dopamine receptor D1 was determined | 15808487 |
| D(2) dopamine receptor | Ki | = | 8.5 | nM | 8.07 | In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate ... | 14695828 |
| Unchecked | Ki | = | 8.511 | nM | 8.07 | Binding affinity of compound towards dopamine receptor D2 was determined | 15808487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808487 | 10.1016/j.bmcl.2005.02.012 | Unchecked | 3 |
| 14695828 | 10.1021/jm0309811 | 5-hydroxytryptamine receptor 2A | 1 |
| 14695828 | 10.1021/jm0309811 | D(1A) dopamine receptor | 1 |
| 14695828 | 10.1021/jm0309811 | D(2) dopamine receptor | 1 |
| 14695828 | 10.1021/jm0309811 | D(3) dopamine receptor | 1 |
| 14695828 | 10.1021/jm0309811 | Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) | 1 |
| 14695828 | 10.1021/jm0309811 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine