Compound Detail
CHEMBL2165116
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Basic Information
| ChEMBL ID | CHEMBL2165116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOXYKTMEOIXZAQ-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.3
MW (Da)
4.46
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.01
Ki 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.01 | 7.3133 | 9.7 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.98 | 6.98 | 104.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 9.7 | nM | 8.01 | cAMP GloSensor Assay: HEK293T cells co-expressing the cAMP biosensor GloSensor-2... | - |
| D(2) dopamine receptor | EC50 | = | 59.0 | nM | 7.23 | Beta-Arrestin Recruitment (Tango) Assay: Recruitment of β-arrestin to agonist-st... | - |
| D(2) dopamine receptor | Ki | = | 104.0 | nM | 6.98 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO c... | 22845053 |
| D(2) dopamine receptor | Ki | = | 104.0 | nM | 6.98 | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug ... | - |
| D(2) dopamine receptor | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin r... | 22845053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845053 | 10.1021/jm300603y | D(2) dopamine receptor | 5 |
Data from ChEMBL 36 via Core Engine