Compound Detail
CHEMBL161792
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL161792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDONPRYEWWPREK-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
5.23
ALogP
5
HBA
1
HBD
48.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.2
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.2 | 7.5 | 6.3 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 6.3 | nM | 8.2 | Agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin r... | 22845053 |
| D(2) dopamine receptor | Ki | = | 7.3 | nM | 8.14 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO c... | 22845053 |
| D(2) dopamine receptor | EC50 | = | 158.0 | nM | 6.8 | 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 |
| 9513593 | 10.1021/jm940608g | Mus musculus | 2 |
| 9513593 | 10.1021/jm940608g | Sodium-dependent dopamine transporter | 1 |
| 9513593 | 10.1021/jm940608g | Alpha-1 adrenergic receptor | 1 |
| 29439902 | 10.1016/j.bmcl.2018.02.003 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine