Compound Detail
CHEMBL3966956
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Basic Information
| ChEMBL ID | CHEMBL3966956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKXGCJMHUWZCIC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.28
ALogP
6
HBA
1
HBD
67.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.05
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.4 | nM | 9.4 | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug ... | - |
| D(2) dopamine receptor | EC50 | = | 0.9 | nM | 9.05 | Beta-Arrestin Recruitment (Tango) Assay: Recruitment of β-arrestin to agonist-st... | - |
Data from ChEMBL 36 via Core Engine