Compound Detail
CHEMBL160296
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Basic Information
| ChEMBL ID | CHEMBL160296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVSUPPZVIPTMEM-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.56
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.3
Ki 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.52 | 9.505 | 0.3 | 2 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.3 | 9.04 | 0.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO c... | 22845053 |
| D(2) dopamine receptor | Ki | = | 0.32 | nM | 9.49 | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug ... | - |
| D(2) dopamine receptor | EC50 | = | 0.5 | nM | 9.3 | Beta-Arrestin Recruitment (Tango) Assay: Recruitment of β-arrestin to agonist-st... | - |
| D(2) dopamine receptor | EC50 | = | 0.6 | nM | 9.22 | Partial agonist activity at D2L receptor in human HTLA cells assessed as beta ar... | 22845053 |
| D(2) dopamine receptor | EC50 | = | 2.5 | nM | 8.6 | Partial agonist activity at human D2L receptor expressed in HEK293T cells coexpr... | 22845053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845053 | 10.1021/jm300603y | D(2) dopamine receptor | 5 |
| 9513593 | 10.1021/jm940608g | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine