Compound Detail
CHEMBL1627310
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 | CHEMBL1627310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DISKLDRQYHVOPT-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
479.4
MW (Da)
3.92
ALogP
4
HBA
3
HBD
71.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.79
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.79 | 8.765 | 1.6 | 2 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 7.62 | 7.62 | 23.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.53 | 6.53 | 293.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.48 | 6.48 | 328.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.61 | nM | 8.79 | Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | 19331412 |
| D(3) dopamine receptor | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown ... | 26203768 |
| D(3) dopamine receptor | IC50 | = | 23.9 | nM | 7.62 | Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as i... | 19331412 |
| Unchecked | Ki | = | 293.0 | nM | 6.53 | Displacement of [125]IABN from human cloned D2 like receptor expressed in HEK293... | 19331412 |
| D(2) dopamine receptor | Ki | = | 328.0 | nM | 6.48 | Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown ... | 26203768 |
| Unchecked | IC50 | = | 2160.0 | nM | 5.67 | Antagonist activity at human D2 like receptor expressed in HEK293 cells assessed... | 19331412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19331412 | 10.1021/jm900095y | Unchecked | 5 |
| 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 |
| 26203768 | 10.1021/acs.jmedchem.5b00776 | D(2) dopamine receptor | 1 |
| 26203768 | 10.1021/acs.jmedchem.5b00776 | D(3) dopamine receptor | 1 |
| 26203768 | 10.1021/acs.jmedchem.5b00776 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine