Compound Detail
CHEMBL2165129
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Basic Information
| ChEMBL ID | CHEMBL2165129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNZOOYYZKQCPEG-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
4.08
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.7
Ki 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 6.7 | 6.3033 | 199.0 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.0 | 6.0 | 1004.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 199.0 | nM | 6.7 | Partial agonist activity at D2L receptor in human HTLA cells assessed as beta ar... | 22845053 |
| D(2) dopamine receptor | EC50 | = | 610.0 | nM | 6.21 | Beta-Arrestin Recruitment (Tango) Assay: Recruitment of β-arrestin to agonist-st... | - |
| D(2) dopamine receptor | EC50 | = | 1000.0 | nM | 6.0 | cAMP GloSensor Assay: HEK293T cells co-expressing the cAMP biosensor GloSensor-2... | - |
| D(2) dopamine receptor | Ki | = | 1004.0 | nM | 6.0 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO c... | 22845053 |
| D(2) dopamine receptor | Ki | = | 1004.0 | nM | 6.0 | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845053 | 10.1021/jm300603y | D(2) dopamine receptor | 5 |
Data from ChEMBL 36 via Core Engine