Compound Detail
CHEMBL1627324
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Basic Information
| ChEMBL ID | CHEMBL1627324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLEGJZRUEMBXDO-VOTSOKGWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.55
ALogP
5
HBA
1
HBD
58.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.95
IC50 2 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.95 | 7.95 | 11.3 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 7.83 | 7.83 | 14.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.1 | 7.1 | 78.8 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 11.3 | nM | 7.95 | Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | 19331412 |
| D(3) dopamine receptor | IC50 | = | 14.9 | nM | 7.83 | Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as i... | 19331412 |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Antagonist activity at human D2 like receptor expressed in HEK293 cells assessed... | 19331412 |
| Unchecked | Ki | = | 78.8 | nM | 7.1 | Displacement of [125]IABN from human cloned D2 like receptor expressed in HEK293... | 19331412 |
| D(1A) dopamine receptor | Ki | = | 990.0 | nM | 6.0 | 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