Compound Detail
CHEMBL1627312
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 | CHEMBL1627312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIJZOWGASFOIBM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
587.3
MW (Da)
4.38
ALogP
4
HBA
3
HBD
71.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.28
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 5.21 | nM | 8.28 | Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | 19331412 |
| D(3) dopamine receptor | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as i... | 19331412 |
| Unchecked | Ki | = | 1060.0 | nM | 5.97 | Displacement of [125]IABN from human cloned D2 like receptor expressed in HEK293... | 19331412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19331412 | 10.1021/jm900095y | Unchecked | 5 |
| 19331412 | 10.1021/jm900095y | D(3) dopamine receptor | 3 |
| 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