Compound Detail
CHEMBL1627315
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Basic Information
| ChEMBL ID | CHEMBL1627315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLERETJRSLMXIG-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
2.49
ALogP
6
HBA
3
HBD
90.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.63
IC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.63 | 8.63 | 2.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.82 | 5.82 | 1530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | IC50 | = | 1.58 | nM | 8.8 | Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as i... | 19331412 |
| D(3) dopamine receptor | Ki | = | 2.32 | nM | 8.63 | Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | 19331412 |
| Unchecked | Ki | = | 390.0 | nM | 6.41 | Displacement of [125]IABN from human cloned D2 like receptor expressed in HEK293... | 19331412 |
| D(4) dopamine receptor | Ki | = | 1530.0 | nM | 5.82 | Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells | 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 |
Data from ChEMBL 36 via Core Engine