Compound Detail
CHEMBL2165122
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Basic Information
| ChEMBL ID | CHEMBL2165122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXHZOGJHNYRAGN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.57
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.6
Ki 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.6 | 8.1 | 2.5 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 2.5 | nM | 8.6 | Agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin r... | 22845053 |
| D(2) dopamine receptor | Ki | = | 4.2 | nM | 8.38 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO c... | 22845053 |
| D(2) dopamine receptor | EC50 | = | 25.0 | nM | 7.6 | Agonist activity at human D2L receptor expressed in HEK293T cells coexpressing G... | 22845053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845053 | 10.1021/jm300603y | D(2) dopamine receptor | 5 |
Data from ChEMBL 36 via Core Engine