Compound Detail
CHEMBL1627320
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 | CHEMBL1627320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUNYCNQDFAUREF-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.21
ALogP
6
HBA
2
HBD
65.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.34
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.34 | 8.34 | 4.6 | 3 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 7.41 | 7.41 | 39.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.83 | 6.83 | 146.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.47 | 6.47 | 337.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.18 | 5.18 | 6650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 4.6 | nM | 8.34 | Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | 19331412 |
| D(3) dopamine receptor | Ki | = | 4.6 | nM | 8.34 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(3) dopamine receptor | Ki | = | 4.6 | nM | 8.34 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(3) dopamine receptor | IC50 | = | 39.1 | nM | 7.41 | Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as i... | 19331412 |
| Unchecked | IC50 | = | 146.1 | nM | 6.83 | Antagonist activity at human D2 like receptor expressed in HEK293 cells assessed... | 19331412 |
| Unchecked | Ki | = | 337.0 | nM | 6.47 | Displacement of [125]IABN from human cloned D2 like receptor expressed in HEK293... | 19331412 |
| D(1A) dopamine receptor | Ki | = | 6650.0 | nM | 5.18 | Displacement of [3H]SCH23390 from D1 receptor | 19331412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19331412 | 10.1021/jm900095y | Unchecked | 3 |
| 19331412 | 10.1021/jm900095y | D(3) dopamine receptor | 2 |
| 19331412 | 10.1021/jm900095y | D(4) dopamine receptor | 1 |
| 19331412 | 10.1021/jm900095y | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine