Compound Detail
CHEMBL4066916
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 | CHEMBL4066916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEYXUHPIPVELRK-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
0.57
ALogP
5
HBA
2
HBD
54.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.22 | 5.19 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes | 28870802 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3600.0 | nM | 5.44 | Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell memb... | 28870802 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4200.0 | nM | 5.38 | Displacement of [3H]prazosin from human sigma1 receptor | 28870802 |
| D(1A) dopamine receptor | Ki | = | 6000.0 | nM | 5.22 | Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes | 28870802 |
| D(2) dopamine receptor | Ki | = | 6000.0 | nM | 5.22 | Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes | 28870802 |
| D(2) dopamine receptor | Ki | = | 6900.0 | nM | 5.16 | Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes | 28870802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(2) dopamine receptor | 2 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(1A) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(3) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(4) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | D(1B) dopamine receptor | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | 5-hydroxytryptamine receptor 2A | 1 |
| 28870802 | 10.1016/j.bmc.2017.08.037 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine